6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C19H13ClF3N5O — CID 122510421

IUPAC6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4cc(Cl)ccc4F)ncn3CC(F)F)cn12
InChIInChI=1S/C19H13ClF3N5O/c20-11-2-3-13(21)12(5-11)17-18(27(9-26-17)8-15(22)23)10-1-4-16-25-6-14(19(24)29)28(16)7-10/h1-7,9,15H,8H2,(H2,24,29)
InChIKeyBILHIBRITDUFJS-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.02
Rot. Bonds5

About 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510421) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510421
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4cc(Cl)ccc4F)ncn3CC(F)F)cn12
InChIInChI=1S/C19H13ClF3N5O/c20-11-2-3-13(21)12(5-11)17-18(27(9-26-17)8-15(22)23)10-1-4-16-25-6-14(19(24)29)28(16)7-10/h1-7,9,15H,8H2,(H2,24,29)
InChIKeyBILHIBRITDUFJS-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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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510421) is 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4cc(Cl)ccc4F)ncn3CC(F)F)cn12.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BILHIBRITDUFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c20-11-2-3-13(21)12(5-11)17-18(27(9-26-17)8-15(22)23)10-1-4-16-25-6-14(19(24)29)28(16)7-10/h1-7,9,15H,8H2,(H2,24,29).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-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-[5-(5-chloro-2-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).