2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid

C23H23FN4O3 — CID 164954047

IUPAC2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-n2nc3c(c2C(=O)O)NCCC3C)cc1
InChIInChI=1S/C23H23FN4O3/c1-13-3-6-16(24)11-18(13)22(29)26-12-15-4-7-17(8-5-15)28-21(23(30)31)20-19(27-28)14(2)9-10-25-20/h3-8,11,14,25H,9-10,12H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyZJXNHJRRPKOZKK-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid

2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 164954047) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
PubChem CID164954047
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-n2nc3c(c2C(=O)O)NCCC3C)cc1
InChIInChI=1S/C23H23FN4O3/c1-13-3-6-16(24)11-18(13)22(29)26-12-15-4-7-17(8-5-15)28-21(23(30)31)20-19(27-28)14(2)9-10-25-20/h3-8,11,14,25H,9-10,12H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyZJXNHJRRPKOZKK-UHFFFAOYSA-N
XLogP3.87
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 165037096
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(4-hydroxycyclohexyl)pyrazole-5-carboxamide;methane
CID 164992271
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
CID 165004214
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164960405
N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 165104174
N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone
CID 165075810
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
4-amino-3-(4,4-difluorocyclohexyl)-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 164996421
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid (CID 164954047) is 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid is Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc3c(c2C(=O)O)NCCC3C)cc1.
What is the InChIKey of 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is ZJXNHJRRPKOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-13-3-6-16(24)11-18(13)22(29)26-12-15-4-7-17(8-5-15)28-21(23(30)31)20-19(27-28)14(2)9-10-25-20/h3-8,11,14,25H,9-10,12H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 422.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 164954047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).