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

C21H18FN5 — CID 66898471

IUPAC1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine
SMILESFC1=CC(c2ccncc2)=CN(c2cccc(-c3nncn3C3CC3)c2)C1
InChIInChI=1S/C21H18FN5/c22-18-10-17(15-6-8-23-9-7-15)12-26(13-18)20-3-1-2-16(11-20)21-25-24-14-27(21)19-4-5-19/h1-3,6-12,14,19H,4-5,13H2
InChIKeyCQLFWLDUPIFTMS-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.39
Rot. Bonds4

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

1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine (PubChem CID 66898471) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine.

Molecular Properties

Compound Name1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine
PubChem CID66898471
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine
SMILESFC1=CC(c2ccncc2)=CN(c2cccc(-c3nncn3C3CC3)c2)C1
InChIInChI=1S/C21H18FN5/c22-18-10-17(15-6-8-23-9-7-15)12-26(13-18)20-3-1-2-16(11-20)21-25-24-14-27(21)19-4-5-19/h1-3,6-12,14,19H,4-5,13H2
InChIKeyCQLFWLDUPIFTMS-UHFFFAOYSA-N
XLogP4.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine?
The IUPAC name of 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine (CID 66898471) is 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine.
What is the SMILES notation for 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine?
The canonical SMILES for 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine is FC1=CC(c2ccncc2)=CN(c2cccc(-c3nncn3C3CC3)c2)C1.
What is the InChIKey of 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine?
The InChIKey is CQLFWLDUPIFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c22-18-10-17(15-6-8-23-9-7-15)12-26(13-18)20-3-1-2-16(11-20)21-25-24-14-27(21)19-4-5-19/h1-3,6-12,14,19H,4-5,13H2.
What are the key properties of 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine?
1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine has a molecular weight of 359.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine is sourced from PubChem (CID 66898471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).