N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C12H16F3N3O2 — CID 86772694

IUPACN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cn2c(n1)CCC(NC(=O)COCC(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O2/c1-8-4-18-5-9(2-3-10(18)16-8)17-11(19)6-20-7-12(13,14)15/h4,9H,2-3,5-7H2,1H3,(H,17,19)
InChIKeyKJHYTRXPHBFZGA-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.20
Rot. Bonds4

About N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86772694) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86772694
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cn2c(n1)CCC(NC(=O)COCC(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O2/c1-8-4-18-5-9(2-3-10(18)16-8)17-11(19)6-20-7-12(13,14)15/h4,9H,2-3,5-7H2,1H3,(H,17,19)
InChIKeyKJHYTRXPHBFZGA-UHFFFAOYSA-N
XLogP1.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86772694) is N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cn2c(n1)CCC(NC(=O)COCC(F)(F)F)C2.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is KJHYTRXPHBFZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8-4-18-5-9(2-3-10(18)16-8)17-11(19)6-20-7-12(13,14)15/h4,9H,2-3,5-7H2,1H3,(H,17,19).
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86772694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).