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

C17H17F2N3O — CID 169412915

IUPAC1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cc(F)cc(F)c2)c2cnn(C3CCCC3)c2N1
InChIInChI=1S/C17H17F2N3O/c18-11-5-10(6-12(19)7-11)14-8-16(23)21-17-15(14)9-20-22(17)13-3-1-2-4-13/h5-7,9,13-14H,1-4,8H2,(H,21,23)
InChIKeyHEGVWRHZLHEXEZ-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.75
Rot. Bonds2

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

1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169412915) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169412915
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cc(F)cc(F)c2)c2cnn(C3CCCC3)c2N1
InChIInChI=1S/C17H17F2N3O/c18-11-5-10(6-12(19)7-11)14-8-16(23)21-17-15(14)9-20-22(17)13-3-1-2-4-13/h5-7,9,13-14H,1-4,8H2,(H,21,23)
InChIKeyHEGVWRHZLHEXEZ-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800408
(4R)-1-cyclopentyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826183
(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
2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
CID 135634261
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800406
4-(3-methyl-1,2-oxazol-5-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169415772
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416102
4-imidazo[1,2-a]pyridin-3-yl-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170505398
(4R)-4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 1400305
(4S)-4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 1400304

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 169412915) is 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2cc(F)cc(F)c2)c2cnn(C3CCCC3)c2N1.
What is the InChIKey of 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HEGVWRHZLHEXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c18-11-5-10(6-12(19)7-11)14-8-16(23)21-17-15(14)9-20-22(17)13-3-1-2-4-13/h5-7,9,13-14H,1-4,8H2,(H,21,23).
What are the key properties of 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 317.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169412915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).