4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid

C24H18ClN3O5 — CID 171975481

IUPAC4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid
SMILESCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(=O)O)cc4)c3c2)ccc1Cl
InChIInChI=1S/C24H18ClN3O5/c1-27(17-7-8-20(25)18(12-17)24(32)33-2)22(29)16-9-10-28-21(11-16)19(13-26-28)14-3-5-15(6-4-14)23(30)31/h3-13H,1-2H3,(H,30,31)
InChIKeyQYUHZGQBMWNKSE-UHFFFAOYSA-N
MW463.88 g/mol
LogP4.42
Rot. Bonds5

About 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid

4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid (PubChem CID 171975481) has the molecular formula C24H18ClN3O5 and a molecular weight of 463.88 g/mol. Its IUPAC name is 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid
PubChem CID171975481
Molecular FormulaC24H18ClN3O5
Molecular Weight463.88 g/mol
Exact Mass463.09
IUPAC Name4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid
SMILESCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(=O)O)cc4)c3c2)ccc1Cl
InChIInChI=1S/C24H18ClN3O5/c1-27(17-7-8-20(25)18(12-17)24(32)33-2)22(29)16-9-10-28-21(11-16)19(13-26-28)14-3-5-15(6-4-14)23(30)31/h3-13H,1-2H3,(H,30,31)
InChIKeyQYUHZGQBMWNKSE-UHFFFAOYSA-N
XLogP4.42
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid with MolForge

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Related Compounds

tert-butyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
CID 163255355
ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
CID 163255398
5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoic acid;oxolan-2-ylmethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
CID 164962291
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 166287912
4-(4-chloro-3-methoxycarbonylphenyl)-3-hydroxybenzoic acid
CID 53228498
4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
CID 137440860
N-methoxy-N-methyl-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 171682360
3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157076
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
The IUPAC name of 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid (CID 171975481) is 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid is COC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(=O)O)cc4)c3c2)ccc1Cl.
What is the InChIKey of 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
The InChIKey is QYUHZGQBMWNKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O5/c1-27(17-7-8-20(25)18(12-17)24(32)33-2)22(29)16-9-10-28-21(11-16)19(13-26-28)14-3-5-15(6-4-14)23(30)31/h3-13H,1-2H3,(H,30,31).
What are the key properties of 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid has a molecular weight of 463.88 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chloro-3-methoxycarbonylphenyl)-methylcarbamoyl]pyrazolo[1,5-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 171975481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).