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

C19H16F2N6O — CID 135223028

IUPAC6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)
InChIKeyIRFYJXPFDRTUSQ-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.93
Rot. Bonds5

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

6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135223028) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135223028
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)
InChIKeyIRFYJXPFDRTUSQ-UHFFFAOYSA-N
XLogP2.93
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 135223028) is 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IRFYJXPFDRTUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28).
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135223028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).