N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C18H16F3N3O3 — CID 126469205

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C(F)(F)F)nc3ccc(C)cn23)cc1OC
InChIInChI=1S/C18H16F3N3O3/c1-10-4-7-14-23-16(18(19,20)21)15(24(14)9-10)17(25)22-11-5-6-12(26-2)13(8-11)27-3/h4-9H,1-3H3,(H,22,25)
InChIKeyBAAYSEROQAYPDB-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.93
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126469205) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126469205
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C(F)(F)F)nc3ccc(C)cn23)cc1OC
InChIInChI=1S/C18H16F3N3O3/c1-10-4-7-14-23-16(18(19,20)21)15(24(14)9-10)17(25)22-11-5-6-12(26-2)13(8-11)27-3/h4-9H,1-3H3,(H,22,25)
InChIKeyBAAYSEROQAYPDB-UHFFFAOYSA-N
XLogP3.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126469205) is N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1ccc(NC(=O)c2c(C(F)(F)F)nc3ccc(C)cn23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BAAYSEROQAYPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-10-4-7-14-23-16(18(19,20)21)15(24(14)9-10)17(25)22-11-5-6-12(26-2)13(8-11)27-3/h4-9H,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126469205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).