6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C19H13ClF3N5O — CID 134202619

IUPAC6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cn(CC(F)F)nc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C19H13ClF3N5O/c20-13-5-10(1-3-14(13)21)18-12(8-27(26-18)9-16(22)23)11-2-4-17-25-6-15(19(24)29)28(17)7-11/h1-8,16H,9H2,(H2,24,29)
InChIKeyGEIDSPLWVXUHPV-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.02
Rot. Bonds5

About 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134202619) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134202619
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC Name6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cn(CC(F)F)nc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C19H13ClF3N5O/c20-13-5-10(1-3-14(13)21)18-12(8-27(26-18)9-16(22)23)11-2-4-17-25-6-15(19(24)29)28(17)7-11/h1-8,16H,9H2,(H2,24,29)
InChIKeyGEIDSPLWVXUHPV-UHFFFAOYSA-N
XLogP4.02
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 86715530
4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole
CID 134202483
6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146935042
6-[3-(2,2-difluoroethyl)-5-pyridin-2-ylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135233763
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510459
6-[2-[6-(difluoromethyl)-2-pyridinyl]-5-fluoro-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122478437
6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 164912407
6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 146401628
6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510483
6-[3-[(2R)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159213641
6-(4-bromothiophen-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 145449205
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 138706947

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134202619) is 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3cn(CC(F)F)nc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GEIDSPLWVXUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c20-13-5-10(1-3-14(13)21)18-12(8-27(26-18)9-16(22)23)11-2-4-17-25-6-15(19(24)29)28(17)7-11/h1-8,16H,9H2,(H2,24,29).
What are the key properties of 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 419.79 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134202619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).