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

C26H29N5 — CID 141287091

IUPAC6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine
SMILESCCC(CC)n1cnnc1-c1cccc(N2CC(c3ccncc3)=CC=C2C2CC2)c1
InChIInChI=1S/C26H29N5/c1-3-23(4-2)31-18-28-29-26(31)21-6-5-7-24(16-21)30-17-22(19-12-14-27-15-13-19)10-11-25(30)20-8-9-20/h5-7,10-16,18,20,23H,3-4,8-9,17H2,1-2H3
InChIKeyLFIBDFOBDYEFLP-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.90
Rot. Bonds7

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

6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine (PubChem CID 141287091) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine.

Molecular Properties

Compound Name6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine
PubChem CID141287091
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine
SMILESCCC(CC)n1cnnc1-c1cccc(N2CC(c3ccncc3)=CC=C2C2CC2)c1
InChIInChI=1S/C26H29N5/c1-3-23(4-2)31-18-28-29-26(31)21-6-5-7-24(16-21)30-17-22(19-12-14-27-15-13-19)10-11-25(30)20-8-9-20/h5-7,10-16,18,20,23H,3-4,8-9,17H2,1-2H3
InChIKeyLFIBDFOBDYEFLP-UHFFFAOYSA-N
XLogP5.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-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
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-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-pyridin-4-yl-2H-pyridine
CID 141287113
N-[3-[4-[(1S)-1-cyclopropylethyl]-1,2,4-triazol-3-yl]phenyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
CID 58102998
6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 118450793
1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-fluoro-5-pyridin-4-yl-2H-pyridine
CID 66898471
3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62695272
4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58103009
2-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]isoindole-1,3-dione
CID 168518993
1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-5-pyridin-4-yl-2-pyrrolidin-1-yl-2H-pyridine
CID 66856242
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridin-1-ium-1-amine
CID 172739870
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine?
The IUPAC name of 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine (CID 141287091) is 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine.
What is the SMILES notation for 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine?
The canonical SMILES for 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine is CCC(CC)n1cnnc1-c1cccc(N2CC(c3ccncc3)=CC=C2C2CC2)c1.
What is the InChIKey of 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine?
The InChIKey is LFIBDFOBDYEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-3-23(4-2)31-18-28-29-26(31)21-6-5-7-24(16-21)30-17-22(19-12-14-27-15-13-19)10-11-25(30)20-8-9-20/h5-7,10-16,18,20,23H,3-4,8-9,17H2,1-2H3.
What are the key properties of 6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine?
6-cyclopropyl-1-[3-(4-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine has a molecular weight of 411.55 g/mol, XLogP of 5.90, 7 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-pentan-3-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-yl-2H-pyridine is sourced from PubChem (CID 141287091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).