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

C25H18ClF3N4O4 — CID 163255359

IUPAC2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
SMILESCN(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(Cl)c(C(=O)OCC(F)(F)F)c1
InChIInChI=1S/C25H18ClF3N4O4/c1-32(17-6-7-20(26)18(11-17)24(36)37-13-25(27,28)29)23(35)16-8-9-33-21(10-16)19(12-31-33)14-2-4-15(5-3-14)22(30)34/h2-12H,13H2,1H3,(H2,30,34)
InChIKeyJRAKWNNEQIRCIP-UHFFFAOYSA-N
MW530.89 g/mol
LogP4.75
Rot. Bonds6

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

2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate (PubChem CID 163255359) has the molecular formula C25H18ClF3N4O4 and a molecular weight of 530.89 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
PubChem CID163255359
Molecular FormulaC25H18ClF3N4O4
Molecular Weight530.89 g/mol
Exact Mass530.10
IUPAC Name2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
SMILESCN(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(Cl)c(C(=O)OCC(F)(F)F)c1
InChIInChI=1S/C25H18ClF3N4O4/c1-32(17-6-7-20(26)18(11-17)24(36)37-13-25(27,28)29)23(35)16-8-9-33-21(10-16)19(12-31-33)14-2-4-15(5-3-14)22(30)34/h2-12H,13H2,1H3,(H2,30,34)
InChIKeyJRAKWNNEQIRCIP-UHFFFAOYSA-N
XLogP4.75
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The IUPAC name of 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate (CID 163255359) is 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The canonical SMILES for 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate is CN(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(Cl)c(C(=O)OCC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The InChIKey is JRAKWNNEQIRCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O4/c1-32(17-6-7-20(26)18(11-17)24(36)37-13-25(27,28)29)23(35)16-8-9-33-21(10-16)19(12-31-33)14-2-4-15(5-3-14)22(30)34/h2-12H,13H2,1H3,(H2,30,34).
What are the key properties of 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate has a molecular weight of 530.89 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate is sourced from PubChem (CID 163255359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).