4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C17H17N3O3 — CID 167379571

IUPAC4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESC=Cc1c(OC)cc(-c2cn(C)c(=O)c3[nH]ncc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-5-11-14(22-3)6-10(7-15(11)23-4)13-9-20(2)17(21)16-12(13)8-18-19-16/h5-9H,1H2,2-4H3,(H,18,19)
InChIKeyAPNADEZCKITCMJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.59
Rot. Bonds4

About 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 167379571) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID167379571
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESC=Cc1c(OC)cc(-c2cn(C)c(=O)c3[nH]ncc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-5-11-14(22-3)6-10(7-15(11)23-4)13-9-20(2)17(21)16-12(13)8-18-19-16/h5-9H,1H2,2-4H3,(H,18,19)
InChIKeyAPNADEZCKITCMJ-UHFFFAOYSA-N
XLogP2.59
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 177321527
2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 164719945
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020511
4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 169241756
tert-butyl 6-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 164720775
4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 163582409
4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]propyl]butanamide
CID 164991299
6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020508
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 164720221
3-[4-[4-[[4-[2-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]ethyl]phenyl]methyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164962924

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 167379571) is 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is C=Cc1c(OC)cc(-c2cn(C)c(=O)c3[nH]ncc23)cc1OC.
What is the InChIKey of 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is APNADEZCKITCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-5-11-14(22-3)6-10(7-15(11)23-4)13-9-20(2)17(21)16-12(13)8-18-19-16/h5-9H,1H2,2-4H3,(H,18,19).
What are the key properties of 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 311.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 167379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).