4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine

C37H29FN6O2 — CID 155570044

IUPAC4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3nnn(-c4ccc(F)cc4)c3C)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C37H29FN6O2/c1-24-36(40-42-44(24)30-15-13-28(38)14-16-30)37-33(23-43(41-37)29-7-5-4-6-8-29)27-21-34(25-9-17-31(45-2)18-10-25)39-35(22-27)26-11-19-32(46-3)20-12-26/h4-23H,1-3H3
InChIKeySZBOSJCCBONYOH-UHFFFAOYSA-N
MW608.68 g/mol
LogP7.98
Rot. Bonds8

About 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine

4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine (PubChem CID 155570044) has the molecular formula C37H29FN6O2 and a molecular weight of 608.68 g/mol. Its IUPAC name is 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine
PubChem CID155570044
Molecular FormulaC37H29FN6O2
Molecular Weight608.68 g/mol
Exact Mass608.23
IUPAC Name4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3nnn(-c4ccc(F)cc4)c3C)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C37H29FN6O2/c1-24-36(40-42-44(24)30-15-13-28(38)14-16-30)37-33(23-43(41-37)29-7-5-4-6-8-29)27-21-34(25-9-17-31(45-2)18-10-25)39-35(22-27)26-11-19-32(46-3)20-12-26/h4-23H,1-3H3
InChIKeySZBOSJCCBONYOH-UHFFFAOYSA-N
XLogP7.98
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.68
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
Jnj-42259152
CID 51353528
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
3-Fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466523

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine?
The IUPAC name of 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine (CID 155570044) is 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine.
What is the SMILES notation for 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine?
The canonical SMILES for 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine is COc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3nnn(-c4ccc(F)cc4)c3C)cc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine?
The InChIKey is SZBOSJCCBONYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29FN6O2/c1-24-36(40-42-44(24)30-15-13-28(38)14-16-30)37-33(23-43(41-37)29-7-5-4-6-8-29)27-21-34(25-9-17-31(45-2)18-10-25)39-35(22-27)26-11-19-32(46-3)20-12-26/h4-23H,1-3H3.
What are the key properties of 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine?
4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine has a molecular weight of 608.68 g/mol, XLogP of 7.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]-2,6-bis(4-methoxyphenyl)pyridine is sourced from PubChem (CID 155570044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).