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

C20H16F3N5O — CID 122510459

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3ncc(C(N)=O)n3c2)n1CC(F)F
InChIInChI=1S/C20H16F3N5O/c1-11-26-18(12-2-5-14(21)6-3-12)19(27(11)10-16(22)23)13-4-7-17-25-8-15(20(24)29)28(17)9-13/h2-9,16H,10H2,1H3,(H2,24,29)
InChIKeyDJHKEYQVGKZTMP-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.68
Rot. Bonds5

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

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510459) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510459
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3ncc(C(N)=O)n3c2)n1CC(F)F
InChIInChI=1S/C20H16F3N5O/c1-11-26-18(12-2-5-14(21)6-3-12)19(27(11)10-16(22)23)13-4-7-17-25-8-15(20(24)29)28(17)9-13/h2-9,16H,10H2,1H3,(H2,24,29)
InChIKeyDJHKEYQVGKZTMP-UHFFFAOYSA-N
XLogP3.68
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510459) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3ncc(C(N)=O)n3c2)n1CC(F)F.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DJHKEYQVGKZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-11-26-18(12-2-5-14(21)6-3-12)19(27(11)10-16(22)23)13-4-7-17-25-8-15(20(24)29)28(17)9-13/h2-9,16H,10H2,1H3,(H2,24,29).
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).