2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C22H26N4 — CID 97447838

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1
InChIInChI=1S/C22H26N4/c1-16-3-2-4-19(13-16)20-7-8-21-23-22(24-26(21)15-20)18-9-11-25(12-10-18)14-17-5-6-17/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3
InChIKeyHJVVRNLUELOXEN-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 97447838) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID97447838
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1
InChIInChI=1S/C22H26N4/c1-16-3-2-4-19(13-16)20-7-8-21-23-22(24-26(21)15-20)18-9-11-25(12-10-18)14-17-5-6-17/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3
InChIKeyHJVVRNLUELOXEN-UHFFFAOYSA-N
XLogP4.29
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 97447838) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HJVVRNLUELOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-16-3-2-4-19(13-16)20-7-8-21-23-22(24-26(21)15-20)18-9-11-25(12-10-18)14-17-5-6-17/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 346.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 97447838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).