4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H13ClF3N5O — CID 56757565

IUPAC4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1cnc2n1CCCC2
InChIInChI=1S/C13H13ClF3N5O/c1-21-10(9(14)11(20-21)13(15,16)17)12(23)19-8-6-18-7-4-2-3-5-22(7)8/h6H,2-5H2,1H3,(H,19,23)
InChIKeyZQRNPPQISWKAOR-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.88
Rot. Bonds2

About 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 56757565) has the molecular formula C13H13ClF3N5O and a molecular weight of 347.73 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID56757565
Molecular FormulaC13H13ClF3N5O
Molecular Weight347.73 g/mol
Exact Mass347.08
IUPAC Name4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1cnc2n1CCCC2
InChIInChI=1S/C13H13ClF3N5O/c1-21-10(9(14)11(20-21)13(15,16)17)12(23)19-8-6-18-7-4-2-3-5-22(7)8/h6H,2-5H2,1H3,(H,19,23)
InChIKeyZQRNPPQISWKAOR-UHFFFAOYSA-N
XLogP2.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide 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 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 56757565) is 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1cnc2n1CCCC2.
What is the InChIKey of 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZQRNPPQISWKAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N5O/c1-21-10(9(14)11(20-21)13(15,16)17)12(23)19-8-6-18-7-4-2-3-5-22(7)8/h6H,2-5H2,1H3,(H,19,23).
What are the key properties of 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 347.73 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 56757565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).