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

C26H26N4O5 — CID 175000389

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C26H26N4O5/c1-35-20-12-10-19(11-13-20)30-24-21(23(27-30)26(33)34)14-16-29(25(24)32)18-8-6-17(7-9-18)28-15-4-2-3-5-22(28)31/h6-13H,2-5,14-16H2,1H3,(H,33,34)
InChIKeyQXTFBXKSHCHVQA-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.69
Rot. Bonds5

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

1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 175000389) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID175000389
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C26H26N4O5/c1-35-20-12-10-19(11-13-20)30-24-21(23(27-30)26(33)34)14-16-29(25(24)32)18-8-6-17(7-9-18)28-15-4-2-3-5-22(28)31/h6-13H,2-5,14-16H2,1H3,(H,33,34)
InChIKeyQXTFBXKSHCHVQA-UHFFFAOYSA-N
XLogP3.69
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 141435084
3-[amino(hydroxy)methyl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 123999276
methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 166529379
ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 142253187
2-(diethylamino)ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175097306
N-(4-aminobutyl)-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 175663014
1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000409
N-(5-aminopentyl)-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 175666918
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
1-(2,4-dimethoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086903

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 175000389) is 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCCCCC4=O)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is QXTFBXKSHCHVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-35-20-12-10-19(11-13-20)30-24-21(23(27-30)26(33)34)14-16-29(25(24)32)18-8-6-17(7-9-18)28-15-4-2-3-5-22(28)31/h6-13H,2-5,14-16H2,1H3,(H,33,34).
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 474.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 175000389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).