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

C16H18F3N5O — CID 128997386

IUPAC2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)nc(C)n1
InChIInChI=1S/C16H18F3N5O/c1-9-5-12(22-10(2)21-9)15(25)20-6-11-3-4-14-23-13(16(17,18)19)8-24(14)7-11/h5,8,11H,3-4,6-7H2,1-2H3,(H,20,25)
InChIKeyVBMZNUWOERNRRY-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.30
Rot. Bonds3

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

2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 128997386) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
PubChem CID128997386
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)nc(C)n1
InChIInChI=1S/C16H18F3N5O/c1-9-5-12(22-10(2)21-9)15(25)20-6-11-3-4-14-23-13(16(17,18)19)8-24(14)7-11/h5,8,11H,3-4,6-7H2,1-2H3,(H,20,25)
InChIKeyVBMZNUWOERNRRY-UHFFFAOYSA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide (CID 128997386) is 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is VBMZNUWOERNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-9-5-12(22-10(2)21-9)15(25)20-6-11-3-4-14-23-13(16(17,18)19)8-24(14)7-11/h5,8,11H,3-4,6-7H2,1-2H3,(H,20,25).
What are the key properties of 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 128997386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).