6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine

C24H22FN5 — CID 141287113

IUPAC6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine
SMILESFC1=C(C2CC2)N(c2cccc(-c3nncn3C3CC3)c2)CC(c2ccncc2)=C1
InChIInChI=1S/C24H22FN5/c25-22-13-19(16-8-10-26-11-9-16)14-29(23(22)17-4-5-17)21-3-1-2-18(12-21)24-28-27-15-30(24)20-6-7-20/h1-3,8-13,15,17,20H,4-7,14H2
InChIKeyIQOIIPLUYNTTAG-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.17
Rot. Bonds5

About 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine

6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine (PubChem CID 141287113) has the molecular formula C24H22FN5 and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine.

Molecular Properties

Compound Name6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine
PubChem CID141287113
Molecular FormulaC24H22FN5
Molecular Weight399.47 g/mol
Exact Mass399.19
IUPAC Name6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine
SMILESFC1=C(C2CC2)N(c2cccc(-c3nncn3C3CC3)c2)CC(c2ccncc2)=C1
InChIInChI=1S/C24H22FN5/c25-22-13-19(16-8-10-26-11-9-16)14-29(23(22)17-4-5-17)21-3-1-2-18(12-21)24-28-27-15-30(24)20-6-7-20/h1-3,8-13,15,17,20H,4-7,14H2
InChIKeyIQOIIPLUYNTTAG-UHFFFAOYSA-N
XLogP5.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine with MolForge

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Related Compounds

1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine
CID 66898471
6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine
CID 141287066
2-(6-cyclopropyl-3-pyridin-4-yl-2H-pyridin-1-yl)-4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine
CID 141287120
6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine
CID 141287091
1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-pyridin-4-yl-2-pyrrolidin-1-yl-2H-pyridine
CID 66856242
3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole
CID 164621066
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
CID 135351043
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 107995852
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
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 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine?
The IUPAC name of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine (CID 141287113) is 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine.
What is the SMILES notation for 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine?
The canonical SMILES for 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine is FC1=C(C2CC2)N(c2cccc(-c3nncn3C3CC3)c2)CC(c2ccncc2)=C1.
What is the InChIKey of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine?
The InChIKey is IQOIIPLUYNTTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5/c25-22-13-19(16-8-10-26-11-9-16)14-29(23(22)17-4-5-17)21-3-1-2-18(12-21)24-28-27-15-30(24)20-6-7-20/h1-3,8-13,15,17,20H,4-7,14H2.
What are the key properties of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine?
6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine has a molecular weight of 399.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine is sourced from PubChem (CID 141287113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).