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

C25H19N5O4 — CID 163255353

IUPACmethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate
SMILESCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(N)=O)cc4)c3c2)ccc1C#N
InChIInChI=1S/C25H19N5O4/c1-29(19-8-7-18(13-26)20(12-19)25(33)34-2)24(32)17-9-10-30-22(11-17)21(14-28-30)15-3-5-16(6-4-15)23(27)31/h3-12,14H,1-2H3,(H2,27,31)
InChIKeyYTVHCXHWFSRCBQ-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.04
Rot. Bonds5

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

methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate (PubChem CID 163255353) has the molecular formula C25H19N5O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate.

Molecular Properties

Compound Namemethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate
PubChem CID163255353
Molecular FormulaC25H19N5O4
Molecular Weight453.46 g/mol
Exact Mass453.14
IUPAC Namemethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate
SMILESCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(N)=O)cc4)c3c2)ccc1C#N
InChIInChI=1S/C25H19N5O4/c1-29(19-8-7-18(13-26)20(12-19)25(33)34-2)24(32)17-9-10-30-22(11-17)21(14-28-30)15-3-5-16(6-4-15)23(27)31/h3-12,14H,1-2H3,(H2,27,31)
InChIKeyYTVHCXHWFSRCBQ-UHFFFAOYSA-N
XLogP3.04
TPSA130.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxamido)benzoate
CID 163255390
ethyl 4-(4-benzylphenylamino)-3-cyano-5-methylH-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791619
2-fluoro-4-[5-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]benzonitrile
CID 91810383
Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]benzoate
CID 168271341
Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzoate
CID 168280421
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845
Methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
2-[4-[[5-(1-Phenylpropylcarbamoyl)-2-propylpyrazolo[1,5-a]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 76325126
ethyl 4-(4-benzoylphenylamino)-3-cyano-5-methylH-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791617
Methyl 2-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamido)-5-chlorobenzoate
CID 163255374
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate?
The IUPAC name of methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate (CID 163255353) is methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate.
What is the SMILES notation for methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate?
The canonical SMILES for methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate is COC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(N)=O)cc4)c3c2)ccc1C#N.
What is the InChIKey of methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate?
The InChIKey is YTVHCXHWFSRCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4/c1-29(19-8-7-18(13-26)20(12-19)25(33)34-2)24(32)17-9-10-30-22(11-17)21(14-28-30)15-3-5-16(6-4-15)23(27)31/h3-12,14H,1-2H3,(H2,27,31).
What are the key properties of methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate?
methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate has a molecular weight of 453.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-cyanobenzoate is sourced from PubChem (CID 163255353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).