1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H27N5O — CID 135873914

IUPAC1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H27N5O/c1-15(26-12-11-17(14-26)16-7-3-2-4-8-16)20-24-21-19(22(28)25-20)13-23-27(21)18-9-5-6-10-18/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3,(H,24,25,28)/t15-,17?/m1/s1
InChIKeyDXZBQYCXLSGSRO-LDCVWXEPSA-N
MW377.49 g/mol
LogP3.79
Rot. Bonds4

About 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873914) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873914
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H27N5O/c1-15(26-12-11-17(14-26)16-7-3-2-4-8-16)20-24-21-19(22(28)25-20)13-23-27(21)18-9-5-6-10-18/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3,(H,24,25,28)/t15-,17?/m1/s1
InChIKeyDXZBQYCXLSGSRO-LDCVWXEPSA-N
XLogP3.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
N-(1-ethyl-1-(4-methylphenyl)propyl)-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 135464340
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
6-[(3S,4S)-1-(4-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886489
6-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135567004
N-cyclopropyl-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 135796853
trans-1-cyclopentyl-6-(4-methyl-1-(3-methylbenzyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860086
trans-1-cyclopentyl-6-(4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860090
trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135875901
PDE-9 inhibitor
CID 135886459

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873914) is 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DXZBQYCXLSGSRO-LDCVWXEPSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(26-12-11-17(14-26)16-7-3-2-4-8-16)20-24-21-19(22(28)25-20)13-23-27(21)18-9-5-6-10-18/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3,(H,24,25,28)/t15-,17?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).