(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H21N3O3S — CID 136800408

IUPAC(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)14-8-6-12(7-9-14)15-10-17(22)20-18-16(15)11-19-21(18)13-4-2-3-5-13/h6-9,11,13,15H,2-5,10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZPPGXKJRVMUCER-OAHLLOKOSA-N
MW359.45 g/mol
LogP2.88
Rot. Bonds3

About (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136800408) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136800408
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)14-8-6-12(7-9-14)15-10-17(22)20-18-16(15)11-19-21(18)13-4-2-3-5-13/h6-9,11,13,15H,2-5,10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZPPGXKJRVMUCER-OAHLLOKOSA-N
XLogP2.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136800408) is (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1.
What is the InChIKey of (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZPPGXKJRVMUCER-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(23,24)14-8-6-12(7-9-14)15-10-17(22)20-18-16(15)11-19-21(18)13-4-2-3-5-13/h6-9,11,13,15H,2-5,10H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 359.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136800408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).