1-Cyclopentyl-3-(1H-pyrrolo[2,3-B]pyridin-5-yl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine

C₁₇H₁₇N₇CAS 1092788-83-4319.37 g/mol

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Properties

Molecular formula: C₁₇H₁₇N₇
Molar mass: 319.37 g/mol
Exact mass: 319.1545 Da
logP: 3.07Crippen estimate
Polar surface area: 98.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Identifiers

CAS number

1092788-83-4

SMILES

C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N

InChIKey

NVRXTLZYXZNATH-UHFFFAOYSA-N

InChI

InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)

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Work with 1-Cyclopentyl-3-(1H-pyrrolo[2,3-B]pyridin-5-yl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine

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

Ibrutinib936563-96-140 % similar 3-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine1224844-38-539 % similar Torkinib1092351-67-138 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-436 % similar

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

Elsewhere

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