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

C22H22N6O — CID 165414876

IUPAC3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C3CC3)nnc12
InChIInChI=1S/C22H22N6O/c1-27-14-18(15-6-3-2-4-7-15)24-19(27)11-12-23-22(29)17-8-5-13-28-20(16-9-10-16)25-26-21(17)28/h2-8,13-14,16H,9-12H2,1H3,(H,23,29)
InChIKeyZIUZZQNOFZHHDD-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.98
Rot. Bonds6

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

3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 165414876) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID165414876
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C3CC3)nnc12
InChIInChI=1S/C22H22N6O/c1-27-14-18(15-6-3-2-4-7-15)24-19(27)11-12-23-22(29)17-8-5-13-28-20(16-9-10-16)25-26-21(17)28/h2-8,13-14,16H,9-12H2,1H3,(H,23,29)
InChIKeyZIUZZQNOFZHHDD-UHFFFAOYSA-N
XLogP2.98
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 165414876) is 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is ZIUZZQNOFZHHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-27-14-18(15-6-3-2-4-7-15)24-19(27)11-12-23-22(29)17-8-5-13-28-20(16-9-10-16)25-26-21(17)28/h2-8,13-14,16H,9-12H2,1H3,(H,23,29).
What are the key properties of 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 165414876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).