N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C17H18N6O — CID 122282953

IUPACN-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccccc1-c1cn2c(n1)CCCC2
InChIInChI=1S/C17H18N6O/c24-17(10-23-12-18-11-19-23)21-14-6-2-1-5-13(14)15-9-22-8-4-3-7-16(22)20-15/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,21,24)
InChIKeyPUNDJKBRXDGVRP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 122282953) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID122282953
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccccc1-c1cn2c(n1)CCCC2
InChIInChI=1S/C17H18N6O/c24-17(10-23-12-18-11-19-23)21-14-6-2-1-5-13(14)15-9-22-8-4-3-7-16(22)20-15/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,21,24)
InChIKeyPUNDJKBRXDGVRP-UHFFFAOYSA-N
XLogP2.12
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 122282953) is N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1ccccc1-c1cn2c(n1)CCCC2.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PUNDJKBRXDGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(10-23-12-18-11-19-23)21-14-6-2-1-5-13(14)15-9-22-8-4-3-7-16(22)20-15/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,21,24).
What are the key properties of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 122282953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).