2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine

C23H22N6 — CID 141287120

IUPAC2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine
SMILESC1=C(c2ccncc2)CN(c2cc(-c3nncn3C3CC3)ccn2)C(C2CC2)=C1
InChIInChI=1S/C23H22N6/c1-2-17(1)21-6-3-19(16-7-10-24-11-8-16)14-28(21)22-13-18(9-12-25-22)23-27-26-15-29(23)20-4-5-20/h3,6-13,15,17,20H,1-2,4-5,14H2
InChIKeyCFQRNTUXESKSOJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.27
Rot. Bonds5

About 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine

2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 141287120) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine
PubChem CID141287120
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine
SMILESC1=C(c2ccncc2)CN(c2cc(-c3nncn3C3CC3)ccn2)C(C2CC2)=C1
InChIInChI=1S/C23H22N6/c1-2-17(1)21-6-3-19(16-7-10-24-11-8-16)14-28(21)22-13-18(9-12-25-22)23-27-26-15-29(23)20-4-5-20/h3,6-13,15,17,20H,1-2,4-5,14H2
InChIKeyCFQRNTUXESKSOJ-UHFFFAOYSA-N
XLogP4.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine
CID 141287066
6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine
CID 141287113
6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine
CID 141287091
4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
CID 115394164
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
CID 150771681
1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine
CID 66898471
4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 58102917
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
CID 135351043
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline
CID 163816711
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 55108572
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine (CID 141287120) is 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine is C1=C(c2ccncc2)CN(c2cc(-c3nncn3C3CC3)ccn2)C(C2CC2)=C1.
What is the InChIKey of 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is CFQRNTUXESKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-2-17(1)21-6-3-19(16-7-10-24-11-8-16)14-28(21)22-13-18(9-12-25-22)23-27-26-15-29(23)20-4-5-20/h3,6-13,15,17,20H,1-2,4-5,14H2.
What are the key properties of 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine?
2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 382.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 141287120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).