chempirical

Bi 2536

C28H39N7O3CAS 755038-02-9521.67 g/mol

Open in Covalent MOL file
ONNHNOHNNONN
AmideEtherLactamSecondary amineTertiary amine

Properties

Molecular formula
C28H39N7O3
Molar mass
521.67 g/mol
Exact mass
521.3114 Da
logP
4.13Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
755038-02-9
SMILES
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(O)=NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
InChIKey
XQVVPGYIWAGRNI-JOCHJYFZSA-N
InChI
InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1

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Names and synonyms

5 names
  • Benzamide, 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-
  • 4-[[(7R)-8-Cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
  • (R)-4-[(8-Cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
  • BI 2356
  • BI2536

Work with Bi 2536

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

Volasertib755038-65-470 % similar 2-[[2-Ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dihydro-5,11-dimethyl-6H-pyrimido[4,5-B][1,4]benzodiazepin-6-one1234480-50-237 % similar Brigatinib1197953-54-033 % similar Wz40021213269-23-833 % similar

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

Elsewhere

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