(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H23N3O3 — CID 136800406

IUPAC(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1OC
InChIInChI=1S/C19H23N3O3/c1-24-16-9-5-8-13(18(16)25-2)14-10-17(23)21-19-15(14)11-20-22(19)12-6-3-4-7-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyUKUDAPYBJBICNC-CQSZACIVSA-N
MW341.41 g/mol
LogP3.49
Rot. Bonds4

About (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136800406) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136800406
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1OC
InChIInChI=1S/C19H23N3O3/c1-24-16-9-5-8-13(18(16)25-2)14-10-17(23)21-19-15(14)11-20-22(19)12-6-3-4-7-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyUKUDAPYBJBICNC-CQSZACIVSA-N
XLogP3.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536
(4R)-1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887397
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
1-(1,3-benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964816
(4R)-1-cyclopentyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826183
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
CID 135634261
(4R)-1-cyclopentyl-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887461
(4R)-4-(2,3-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792954
(4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135897111
(4S)-4-(2,3-dimethoxyphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887831
(4R)-4-(2,3-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887832

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136800406) is (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1OC.
What is the InChIKey of (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UKUDAPYBJBICNC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-16-9-5-8-13(18(16)25-2)14-10-17(23)21-19-15(14)11-20-22(19)12-6-3-4-7-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 341.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136800406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).