N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H17F3N6O — CID 165414967

IUPACN-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C20H17F3N6O/c1-28-12-15(13-6-3-2-4-7-13)25-16(28)9-10-24-18(30)14-8-5-11-29-17(14)26-27-19(29)20(21,22)23/h2-8,11-12H,9-10H2,1H3,(H,24,30)
InChIKeyYXXWGFLVYQUIHE-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 165414967) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID165414967
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC NameN-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C20H17F3N6O/c1-28-12-15(13-6-3-2-4-7-13)25-16(28)9-10-24-18(30)14-8-5-11-29-17(14)26-27-19(29)20(21,22)23/h2-8,11-12H,9-10H2,1H3,(H,24,30)
InChIKeyYXXWGFLVYQUIHE-UHFFFAOYSA-N
XLogP3.12
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 165414967) is N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C(F)(F)F)nnc12.
What is the InChIKey of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is YXXWGFLVYQUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-28-12-15(13-6-3-2-4-7-13)25-16(28)9-10-24-18(30)14-8-5-11-29-17(14)26-27-19(29)20(21,22)23/h2-8,11-12H,9-10H2,1H3,(H,24,30).
What are the key properties of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 165414967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).