1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H24FN3O2 — CID 169420520

IUPAC1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(F)c(C2CC(=O)Nc3c2c(C)nn3C2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2/c1-12-19-16(15-10-14(26-2)8-9-17(15)21)11-18(25)22-20(19)24(23-12)13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3,(H,22,25)
InChIKeyKUEDGGOBCORXNF-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.32
Rot. Bonds3

About 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169420520) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169420520
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(F)c(C2CC(=O)Nc3c2c(C)nn3C2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2/c1-12-19-16(15-10-14(26-2)8-9-17(15)21)11-18(25)22-20(19)24(23-12)13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3,(H,22,25)
InChIKeyKUEDGGOBCORXNF-UHFFFAOYSA-N
XLogP4.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-cyclohexyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
CID 169419411
(4R)-4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916827
4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594574
(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713620
(4R)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-4-(2,3,4-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800421
(4S)-4-(2,5-dimethoxyphenyl)-3-methyl-1-(6-piperidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737380
1-cyclohexyl-4-(2,4-dichlorophenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 3873061
(4R)-4-(2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793559
1-cyclopentyl-3-methyl-4-[2-(pyrazol-1-ylmethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503607
(4R)-4-(3-chloro-4-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887381
(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953421
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893108

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 169420520) is 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(F)c(C2CC(=O)Nc3c2c(C)nn3C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KUEDGGOBCORXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-12-19-16(15-10-14(26-2)8-9-17(15)21)11-18(25)22-20(19)24(23-12)13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3,(H,22,25).
What are the key properties of 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 357.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169420520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).