1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C24H24N4O5 — CID 175000319

IUPAC1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(NC(=O)C(C)C)cc2)CC3)cc1
InChIInChI=1S/C24H24N4O5/c1-14(2)22(29)25-15-4-6-16(7-5-15)27-13-12-19-20(24(31)32)26-28(21(19)23(27)30)17-8-10-18(33-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,25,29)(H,31,32)
InChIKeyUSKGBQKIMICINA-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.38
Rot. Bonds6

About 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid

1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 175000319) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID175000319
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(NC(=O)C(C)C)cc2)CC3)cc1
InChIInChI=1S/C24H24N4O5/c1-14(2)22(29)25-15-4-6-16(7-5-15)27-13-12-19-20(24(31)32)26-28(21(19)23(27)30)17-8-10-18(33-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,25,29)(H,31,32)
InChIKeyUSKGBQKIMICINA-UHFFFAOYSA-N
XLogP3.38
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000409
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 141435084
ethyl 6-[4-[(2-bromoacetyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 58618147
4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]anilino]butanoic acid
CID 163203151
methyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175673444
N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide
CID 130216242
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
tert-butyl N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]carbamate
CID 23635751
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10161317
6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000294

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 175000319) is 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(NC(=O)C(C)C)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is USKGBQKIMICINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-14(2)22(29)25-15-4-6-16(7-5-15)27-13-12-19-20(24(31)32)26-28(21(19)23(27)30)17-8-10-18(33-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,25,29)(H,31,32).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 448.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 175000319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).