4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide

C17H21F3N4O2 — CID 128966204

IUPAC4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C17H21F3N4O2/c1-23(15(25)16(11-21)4-6-26-7-5-16)8-12-2-3-14-22-13(17(18,19)20)10-24(14)9-12/h10,12H,2-9H2,1H3
InChIKeyHPWVEZVLPCEMKT-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.24
Rot. Bonds3

About 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide

4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide (PubChem CID 128966204) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide
PubChem CID128966204
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C17H21F3N4O2/c1-23(15(25)16(11-21)4-6-26-7-5-16)8-12-2-3-14-22-13(17(18,19)20)10-24(14)9-12/h10,12H,2-9H2,1H3
InChIKeyHPWVEZVLPCEMKT-UHFFFAOYSA-N
XLogP2.24
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide (CID 128966204) is 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide is CN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide?
The InChIKey is HPWVEZVLPCEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-23(15(25)16(11-21)4-6-26-7-5-16)8-12-2-3-14-22-13(17(18,19)20)10-24(14)9-12/h10,12H,2-9H2,1H3.
What are the key properties of 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide?
4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 128966204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).