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

C21H29N7O — CID 135875902

IUPAC1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n(C)n1
InChIInChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
InChIKeyLLIYAZFYRUESNK-FZKQIMNGSA-N
MW395.51 g/mol
LogP2.51
Rot. Bonds4

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

1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135875902) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135875902
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n(C)n1
InChIInChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
InChIKeyLLIYAZFYRUESNK-FZKQIMNGSA-N
XLogP2.51
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[(1,5-Dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 136515942
US20240287079, Example 343
CID 167497585
US20240287079, Example 344
CID 172132934
US20240287079, Example 347
CID 172133105
US20240287079, Example 350
CID 172133123
5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 128972467
(1,5-dimethylpyrazol-4-yl)-[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136253414
(1-methylpyrazol-4-yl)-[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136253419
[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 136253430
(1,5-dimethylpyrazol-4-yl)-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136253432
[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 136253466
(1,5-dimethylpyrazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136253468

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135875902) is 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)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-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n(C)n1.
What is the InChIKey of 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LLIYAZFYRUESNK-FZKQIMNGSA-N. The full InChI is InChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.51 g/mol, XLogP of 2.51, 4 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-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135875902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).