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

C20H14F3N5O — CID 122478536

IUPAC6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C20H14F3N5O/c1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12/h2-10H,1H3,(H2,24,29)
InChIKeyFFFATAHFDIOJRT-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.88
Rot. Bonds3

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

6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122478536) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122478536
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C20H14F3N5O/c1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12/h2-10H,1H3,(H2,24,29)
InChIKeyFFFATAHFDIOJRT-UHFFFAOYSA-N
XLogP3.88
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.88
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)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122478536) is 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FFFATAHFDIOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12/h2-10H,1H3,(H2,24,29).
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 3.88, 3 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)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122478536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).