methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate

C24H19ClN4O4 — CID 163255374

IUPACmethyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1N(C)C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1
InChIInChI=1S/C24H19ClN4O4/c1-28(20-8-7-17(25)12-18(20)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30)
InChIKeyWLOJCOKCHLQURM-UHFFFAOYSA-N
MW462.89 g/mol
LogP3.82
Rot. Bonds5

About methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate

methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate (PubChem CID 163255374) has the molecular formula C24H19ClN4O4 and a molecular weight of 462.89 g/mol. Its IUPAC name is methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate
PubChem CID163255374
Molecular FormulaC24H19ClN4O4
Molecular Weight462.89 g/mol
Exact Mass462.11
IUPAC Namemethyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1N(C)C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1
InChIInChI=1S/C24H19ClN4O4/c1-28(20-8-7-17(25)12-18(20)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30)
InChIKeyWLOJCOKCHLQURM-UHFFFAOYSA-N
XLogP3.82
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxamido)benzoate
CID 163255390
5-(4-Butanoyl-5-methylpyrazol-1-yl)-2-[[5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carbonyl]amino]benzoic acid
CID 118711248
2-Chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxamido)benzoic acid
CID 163255367
t-Butyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxamido)benzoate
CID 163255379
WO2022079616, Example 1.10
CID 163255359
methyl 1-(2-chlorobenzoyl)-1H-indole-3-carboxylate
CID 892255
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
CID 10960333
methyl 1-(4-chlorobenzoyl)-1H-indole-3-carboxylate
CID 703704
Ethyl 2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137654216
WO2022079616, Example 1.27
CID 163255353
WO2022079616, Example 1.02
CID 163255355
WO2022079616, Example 1.12
CID 163255356

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate?
The IUPAC name of methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate (CID 163255374) is methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1N(C)C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1.
What is the InChIKey of methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate?
The InChIKey is WLOJCOKCHLQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4/c1-28(20-8-7-17(25)12-18(20)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30).
What are the key properties of methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate?
methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate has a molecular weight of 462.89 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-5-chlorobenzoate is sourced from PubChem (CID 163255374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).