[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C30H25N3O4 — CID 23879160

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C30H25N3O4/c1-19-9-11-22(12-10-19)27(34)18-37-30(35)25-17-26(21-13-15-24(36-3)16-14-21)31-29-28(25)20(2)32-33(29)23-7-5-4-6-8-23/h4-17H,18H2,1-3H3
InChIKeyPUZOUKPMNSYLDD-UHFFFAOYSA-N
MW491.55 g/mol
LogP5.75
Rot. Bonds7

About [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 23879160) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID23879160
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C30H25N3O4/c1-19-9-11-22(12-10-19)27(34)18-37-30(35)25-17-26(21-13-15-24(36-3)16-14-21)31-29-28(25)20(2)32-33(29)23-7-5-4-6-8-23/h4-17H,18H2,1-3H3
InChIKeyPUZOUKPMNSYLDD-UHFFFAOYSA-N
XLogP5.75
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23937902
[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23737363
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2096325
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4220379
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 1217063
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2487436
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 5193723
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 5009984
3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154556
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 23879160) is [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is PUZOUKPMNSYLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-19-9-11-22(12-10-19)27(34)18-37-30(35)25-17-26(21-13-15-24(36-3)16-14-21)31-29-28(25)20(2)32-33(29)23-7-5-4-6-8-23/h4-17H,18H2,1-3H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 491.55 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 23879160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).