(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide

C17H24N6O3 — CID 155512206

IUPAC(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)NC1CCOC1
InChIInChI=1S/C17H24N6O3/c1-10(15(24)20-11-6-7-26-9-11)19-17-21-14-13(16(25)22-17)8-18-23(14)12-4-2-3-5-12/h8,10-12H,2-7,9H2,1H3,(H,20,24)(H2,19,21,22,25)/t10-,11?/m1/s1
InChIKeyPXAODIKTYVKVME-NFJWQWPMSA-N
MW360.42 g/mol
LogP0.94
Rot. Bonds5

About (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide

(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide (PubChem CID 155512206) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide
PubChem CID155512206
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)NC1CCOC1
InChIInChI=1S/C17H24N6O3/c1-10(15(24)20-11-6-7-26-9-11)19-17-21-14-13(16(25)22-17)8-18-23(14)12-4-2-3-5-12/h8,10-12H,2-7,9H2,1H3,(H,20,24)(H2,19,21,22,25)/t10-,11?/m1/s1
InChIKeyPXAODIKTYVKVME-NFJWQWPMSA-N
XLogP0.94
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide?
The IUPAC name of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide (CID 155512206) is (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)NC1CCOC1.
What is the InChIKey of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide?
The InChIKey is PXAODIKTYVKVME-NFJWQWPMSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-10(15(24)20-11-6-7-26-9-11)19-17-21-14-13(16(25)22-17)8-18-23(14)12-4-2-3-5-12/h8,10-12H,2-7,9H2,1H3,(H,20,24)(H2,19,21,22,25)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide?
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 155512206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).