6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H16F3N5O — CID 122478608

IUPAC6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)(F)F)n3c2)n1
InChIInChI=1S/C21H16F3N5O/c1-13-4-2-6-16(28-13)19-15(5-3-9-25-19)14-7-8-18-26-10-17(29(18)11-14)20(30)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,27,30)
InChIKeyRKFGHLMSNXZESC-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.06
Rot. Bonds4

About 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122478608) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122478608
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)(F)F)n3c2)n1
InChIInChI=1S/C21H16F3N5O/c1-13-4-2-6-16(28-13)19-15(5-3-9-25-19)14-7-8-18-26-10-17(29(18)11-14)20(30)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,27,30)
InChIKeyRKFGHLMSNXZESC-UHFFFAOYSA-N
XLogP4.06
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 122478608) is 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)(F)F)n3c2)n1.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RKFGHLMSNXZESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-13-4-2-6-16(28-13)19-15(5-3-9-25-19)14-7-8-18-26-10-17(29(18)11-14)20(30)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,27,30).
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122478608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).