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

C24H31N5O2 — CID 135873925

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(C2(C)CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1
InChIInChI=1S/C24H31N5O2/c1-16(28-12-11-24(2,15-28)17-7-6-10-19(13-17)31-3)21-26-22-20(23(30)27-21)14-25-29(22)18-8-4-5-9-18/h6-7,10,13-14,16,18H,4-5,8-9,11-12,15H2,1-3H3,(H,26,27,30)/t16-,24?/m1/s1
InChIKeyKQKSCUBNEPYAIR-YAOANENCSA-N
MW421.55 g/mol
LogP3.97
Rot. Bonds5

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

1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873925) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873925
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(C2(C)CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1
InChIInChI=1S/C24H31N5O2/c1-16(28-12-11-24(2,15-28)17-7-6-10-19(13-17)31-3)21-26-22-20(23(30)27-21)14-25-29(22)18-8-4-5-9-18/h6-7,10,13-14,16,18H,4-5,8-9,11-12,15H2,1-3H3,(H,26,27,30)/t16-,24?/m1/s1
InChIKeyKQKSCUBNEPYAIR-YAOANENCSA-N
XLogP3.97
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclopentyl-6-[(1r)-1-(3-Phenoxyazetidin-1-Yl)ethyl]-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566743
5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
6-[(3S,4S)-1-(4-methoxybenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886496
N-[1-Ethyl-1-(4-methoxyphenyl)propyl]-7,7-dimethyl-5-phenyl-4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059349
1-cyclopentyl-6-[(1S)-1-(3-phenoxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236309
N-tert-butyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3143703
1-cyclopentyl-6-[(1R)-1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236303
1-cyclopentyl-6-[1-(3-phenoxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136242453
(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 70169347
1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873814
1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873819
1-cyclopentyl-6-[(1R)-1-[(3S)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873827

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873925) is 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(C2(C)CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KQKSCUBNEPYAIR-YAOANENCSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16(28-12-11-24(2,15-28)17-7-6-10-19(13-17)31-3)21-26-22-20(23(30)27-21)14-25-29(22)18-8-4-5-9-18/h6-7,10,13-14,16,18H,4-5,8-9,11-12,15H2,1-3H3,(H,26,27,30)/t16-,24?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 421.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(1R)-1-[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).