5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C18H16F3N3O — CID 157092704

IUPAC5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H]
InChIInChI=1S/C18H16F3N3O/c1-11-3-8-15-23-12(2)16(24(15)10-11)17(25)22-9-13-4-6-14(7-5-13)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,22,25)/i3D,8D,10D
InChIKeyZKLMCSRMHWFECP-ULCMJNKWSA-N
MW350.36 g/mol
LogP3.90
Rot. Bonds3

About 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 157092704) has the molecular formula C18H16F3N3O and a molecular weight of 350.36 g/mol. Its IUPAC name is 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID157092704
Molecular FormulaC18H16F3N3O
Molecular Weight350.36 g/mol
Exact Mass350.14
IUPAC Name5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H]
InChIInChI=1S/C18H16F3N3O/c1-11-3-8-15-23-12(2)16(24(15)10-11)17(25)22-9-13-4-6-14(7-5-13)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,22,25)/i3D,8D,10D
InChIKeyZKLMCSRMHWFECP-ULCMJNKWSA-N
XLogP3.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 157092704) is 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is [2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H].
What is the InChIKey of 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZKLMCSRMHWFECP-ULCMJNKWSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-3-8-15-23-12(2)16(24(15)10-11)17(25)22-9-13-4-6-14(7-5-13)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,22,25)/i3D,8D,10D.
What are the key properties of 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 157092704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).