N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C40H31F2N9O3 — CID 122478588

IUPACN-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)F)n3c2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)n1
InChIInChI=1S/C21H17F2N5O.C19H14N4O2/c1-13-4-2-6-16(27-13)20-15(5-3-9-24-20)14-7-8-19-25-10-17(28(19)12-14)21(29)26-11-18(22)23;1-12-4-2-6-15(22-12)18-14(5-3-9-20-18)13-7-8-17-21-10-16(19(24)25)23(17)11-13/h2-10,12,18H,11H2,1H3,(H,26,29);2-11H,1H3,(H,24,25)
InChIKeyZNRNNIUKMCIEAZ-UHFFFAOYSA-N
MW723.74 g/mol
LogP7.23
Rot. Bonds8

About N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid

N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 122478588) has the molecular formula C40H31F2N9O3 and a molecular weight of 723.74 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID122478588
Molecular FormulaC40H31F2N9O3
Molecular Weight723.74 g/mol
Exact Mass723.25
IUPAC NameN-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)F)n3c2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)n1
InChIInChI=1S/C21H17F2N5O.C19H14N4O2/c1-13-4-2-6-16(27-13)20-15(5-3-9-24-20)14-7-8-19-25-10-17(28(19)12-14)21(29)26-11-18(22)23;1-12-4-2-6-15(22-12)18-14(5-3-9-20-18)13-7-8-17-21-10-16(19(24)25)23(17)11-13/h2-10,12,18H,11H2,1H3,(H,26,29);2-11H,1H3,(H,24,25)
InChIKeyZNRNNIUKMCIEAZ-UHFFFAOYSA-N
XLogP7.23
TPSA152.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.74
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 122478588) is N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)F)n3c2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is ZNRNNIUKMCIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O.C19H14N4O2/c1-13-4-2-6-16(27-13)20-15(5-3-9-24-20)14-7-8-19-25-10-17(28(19)12-14)21(29)26-11-18(22)23;1-12-4-2-6-15(22-12)18-14(5-3-9-20-18)13-7-8-17-21-10-16(19(24)25)23(17)11-13/h2-10,12,18H,11H2,1H3,(H,26,29);2-11H,1H3,(H,24,25).
What are the key properties of N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 723.74 g/mol, XLogP of 7.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 122478588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).