Torkinib

C16H16N6OCAS 1092351-67-1308.35 g/mol

Open in Covalent MOL file
NNHONHH2NNN
PhenolPrimary amine

Properties

Molecular formula
C16H16N6O
Molar mass
308.35 g/mol
Exact mass
308.1386 Da
logP
2.84Crippen estimate
Polar surface area
105.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1092351-67-1
SMILES
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21
InChIKey
MFAQYJIYDMLAIM-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)

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Names and synonyms

4 names
  • 1H-Indol-5-ol, 2-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-
  • 2-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
  • PP 242
  • 2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol

Work with Torkinib

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-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1224844-38-550 % similar 1-Cyclopentyl-3-(1H-pyrrolo[2,3-B]pyridin-5-yl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine1092788-83-438 % similar 2-Methyl-1H-indol-5-ol13314-85-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile1527475-61-1

Elsewhere

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