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5-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol

C25H31N5O4CAS 1009298-09-2465.55 g/mol

Open in Covalent MOL file
ONONNONNHO
AlcoholEtherTertiary amine

Properties

Molecular formula
C25H31N5O4
Molar mass
465.55 g/mol
Exact mass
465.2376 Da
logP
2.64Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
1009298-09-2
SMILES
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO
InChIKey
KVLFRAWTRWDEDF-IRXDYDNUSA-N
InChI
InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzenemethanol, 5-[2,4-bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-
  • [5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-e]pyrimidin-7-yl]-2-methoxyphenyl]methanol
  • [5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
  • AZD 8055
  • CCG 168
  • NVP-CCG 168
  • [5-[2,4-Bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
  • AZD-8055
  • AZD8055

Work with 5-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-E]pyrimidin-7-yl]-N-methylbenzamide1009298-59-257 % similar 2,5-Dimethoxybenzyl alcohol33524-31-133 % similar 5-Bromo-2-methoxybenzenemethanol80866-82-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Rel-5-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol938440-64-3

Elsewhere

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