6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide

C16H17F3N4O2 — CID 127965430

IUPAC6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)c[nH]1
InChIInChI=1S/C16H17F3N4O2/c1-9-4-12(24)11(6-20-9)15(25)21-5-10-2-3-14-22-13(16(17,18)19)8-23(14)7-10/h4,6,8,10H,2-3,5,7H2,1H3,(H,20,24)(H,21,25)
InChIKeyHZYGFQFALPKICY-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.89
Rot. Bonds3

About 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 127965430) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID127965430
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)c[nH]1
InChIInChI=1S/C16H17F3N4O2/c1-9-4-12(24)11(6-20-9)15(25)21-5-10-2-3-14-22-13(16(17,18)19)8-23(14)7-10/h4,6,8,10H,2-3,5,7H2,1H3,(H,20,24)(H,21,25)
InChIKeyHZYGFQFALPKICY-UHFFFAOYSA-N
XLogP1.89
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide (CID 127965430) is 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is HZYGFQFALPKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9-4-12(24)11(6-20-9)15(25)21-5-10-2-3-14-22-13(16(17,18)19)8-23(14)7-10/h4,6,8,10H,2-3,5,7H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127965430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).