1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H28N6O2 — CID 135860091

IUPAC1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1
InChIInChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1
InChIKeyXFWJNKPDHNMLIO-RDTXWAMCSA-N
MW408.51 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135860091) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135860091
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1
InChIInChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1
InChIKeyXFWJNKPDHNMLIO-RDTXWAMCSA-N
XLogP2.87
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(6R)-9-fluoro-15,15-dimethyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 70170020
(6R)-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 86691719
US11098060, Example 12
CID 137548209
US11098060, Example 1
CID 137548234
US11098060, Example 2
CID 137548236
US11098060, Example 21
CID 137548340
US11098060, Example 17
CID 137548746
US11098060, Example 19
CID 137548748
US11098060, Example 18
CID 155117138
US11098060, Example 13
CID 155117172
N-(2-methoxyphenyl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16011897

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135860091) is 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1.
What is the InChIKey of 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XFWJNKPDHNMLIO-RDTXWAMCSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 408.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(3S,4S)-1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135860091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).