6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H29N5O — CID 163509844

IUPAC6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1C[C@@H](c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)[C@H](C2CC2C2=CC=CC2)C1
InChIInChI=1S/C23H29N5O/c1-27-12-19(17-10-16(17)14-6-2-3-7-14)20(13-27)21-25-22-18(23(29)26-21)11-24-28(22)15-8-4-5-9-15/h2-3,6,11,15-17,19-20H,4-5,7-10,12-13H2,1H3,(H,25,26,29)/t16?,17?,19-,20+/m0/s1
InChIKeyDBTNXVSBVDBDPV-ZYKFHVCXSA-N
MW391.52 g/mol
LogP3.40
Rot. Bonds4

About 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 163509844) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID163509844
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1C[C@@H](c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)[C@H](C2CC2C2=CC=CC2)C1
InChIInChI=1S/C23H29N5O/c1-27-12-19(17-10-16(17)14-6-2-3-7-14)20(13-27)21-25-22-18(23(29)26-21)11-24-28(22)15-8-4-5-9-15/h2-3,6,11,15-17,19-20H,4-5,7-10,12-13H2,1H3,(H,25,26,29)/t16?,17?,19-,20+/m0/s1
InChIKeyDBTNXVSBVDBDPV-ZYKFHVCXSA-N
XLogP3.40
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-cyclopentyl-6-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136627768
6-(4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136959572
1-(oxan-4-yl)-6-[(1S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100350
6-[(3S,4S)-4-ethylpyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydron;chloride
CID 173048906
N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide
CID 136985307
3-(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[4-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 135867306
1-(4,4-difluorocyclohexyl)-6-[(1R)-2-(4,5-dimethyl-1,3-oxazol-2-yl)cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100338
cis-(1S,2R)-2-[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(Z)-ethylideneamino]cyclobutane-1-carboxamide
CID 137138384
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-[2-(dimethylamino)-1,3-thiazol-4-yl]cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100399
1-cyclohexyl-6-[1-(5-phenyl-1H-1,2,4-triazol-3-yl)azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135867297
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100342
1-(4,4-difluorocyclohexyl)-6-[2-[hydroxy(morpholin-4-yl)methyl]cyclohexyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137022472

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 163509844) is 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN1C[C@@H](c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)[C@H](C2CC2C2=CC=CC2)C1.
What is the InChIKey of 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DBTNXVSBVDBDPV-ZYKFHVCXSA-N. The full InChI is InChI=1S/C23H29N5O/c1-27-12-19(17-10-16(17)14-6-2-3-7-14)20(13-27)21-25-22-18(23(29)26-21)11-24-28(22)15-8-4-5-9-15/h2-3,6,11,15-17,19-20H,4-5,7-10,12-13H2,1H3,(H,25,26,29)/t16?,17?,19-,20+/m0/s1.
What are the key properties of 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 391.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-4-(2-cyclopenta-1,3-dien-1-ylcyclopropyl)-1-methylpyrrolidin-3-yl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 163509844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).