4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C20H19N3O3 — CID 3164909

IUPAC4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1OC
InChIInChI=1S/C20H19N3O3/c1-25-15-9-8-13(10-16(15)26-2)14-11-17(24)21-20-18(14)19(22-23-20)12-6-4-3-5-7-12/h3-10,14H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyCYFKTMPGQVFMFJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.57
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 3164909) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID3164909
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1OC
InChIInChI=1S/C20H19N3O3/c1-25-15-9-8-13(10-16(15)26-2)14-11-17(24)21-20-18(14)19(22-23-20)12-6-4-3-5-7-12/h3-10,14H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyCYFKTMPGQVFMFJ-UHFFFAOYSA-N
XLogP3.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

4-(4-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 2999370
N-[5-(3,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-2-naphthalen-2-yl-acetamide
CID 9952193
4-(3,4-Dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 4652289
Indan-2-carboxylic acid [5-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 10892960
Indan-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 11002986
2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 11729353
Flt3-IN-6
CID 138454787
N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 153524920
3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 35532110
N-[5-(3,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-2-(1,2,3,4,9,9a-hexahydro-cyclopenta[b]naphthalen-3a-yl)-acetamide
CID 44303643
1-N-[6-(3,4-dimethoxyphenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145964579
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155512315

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 3164909) is 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is COc1ccc(C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is CYFKTMPGQVFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-9-8-13(10-16(15)26-2)14-11-17(24)21-20-18(14)19(22-23-20)12-6-4-3-5-7-12/h3-10,14H,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 349.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 3164909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).