1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile

C19H25N7O2 — CID 166629158

IUPAC1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C19H25N7O2/c1-12(18(28)25-8-6-13(10-20)7-9-25)22-19-23-16-15(17(27)24-19)11-21-26(16)14-4-2-3-5-14/h11-14H,2-9H2,1H3,(H2,22,23,24,27)/t12-/m1/s1
InChIKeyMQJIGUMJMCNGSP-GFCCVEGCSA-N
MW383.46 g/mol
LogP1.80
Rot. Bonds4

About 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile

1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile (PubChem CID 166629158) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile
PubChem CID166629158
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C19H25N7O2/c1-12(18(28)25-8-6-13(10-20)7-9-25)22-19-23-16-15(17(27)24-19)11-21-26(16)14-4-2-3-5-14/h11-14H,2-9H2,1H3,(H2,22,23,24,27)/t12-/m1/s1
InChIKeyMQJIGUMJMCNGSP-GFCCVEGCSA-N
XLogP1.80
TPSA119.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile with MolForge

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Related Compounds

Pde9-IN-1
CID 137700754
1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 163183770
1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
CID 7118692
1-Tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 7118693
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
1-cyclopentyl-6-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155510637
1-cyclopentyl-6-[[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155517492
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155521088
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155525884
1-cyclopentyl-6-[[(2R)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155531325
1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155532938

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile (CID 166629158) is 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile?
The InChIKey is MQJIGUMJMCNGSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-12(18(28)25-8-6-13(10-20)7-9-25)22-19-23-16-15(17(27)24-19)11-21-26(16)14-4-2-3-5-14/h11-14H,2-9H2,1H3,(H2,22,23,24,27)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile?
1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile has a molecular weight of 383.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 166629158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).