N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

C20H19FN6O — CID 97194005

IUPACN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCn1cnnc1[C@H](C)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C20H19FN6O/c1-3-26-12-22-25-19(26)13(2)23-20(28)15-6-9-18-24-17(11-27(18)10-15)14-4-7-16(21)8-5-14/h4-13H,3H2,1-2H3,(H,23,28)/t13-/m0/s1
InChIKeyYAZJKHOFEAAYOT-ZDUSSCGKSA-N
MW378.41 g/mol
LogP3.24
Rot. Bonds5

About N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 97194005) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID97194005
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCn1cnnc1[C@H](C)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C20H19FN6O/c1-3-26-12-22-25-19(26)13(2)23-20(28)15-6-9-18-24-17(11-27(18)10-15)14-4-7-16(21)8-5-14/h4-13H,3H2,1-2H3,(H,23,28)/t13-/m0/s1
InChIKeyYAZJKHOFEAAYOT-ZDUSSCGKSA-N
XLogP3.24
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 97194005) is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is CCn1cnnc1[C@H](C)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is YAZJKHOFEAAYOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-3-26-12-22-25-19(26)13(2)23-20(28)15-6-9-18-24-17(11-27(18)10-15)14-4-7-16(21)8-5-14/h4-13H,3H2,1-2H3,(H,23,28)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 97194005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).