3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine

C29H17F4N5 — CID 140617931

IUPAC3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine
SMILESFc1ccc(-n2ccc(-c3ccnc(-c4ccccc4)c3-c3ccn(-c4ccc(F)cc4F)n3)n2)c(F)c1
InChIInChI=1S/C29H17F4N5/c30-19-6-8-26(22(32)16-19)37-14-11-24(35-37)21-10-13-34-29(18-4-2-1-3-5-18)28(21)25-12-15-38(36-25)27-9-7-20(31)17-23(27)33/h1-17H
InChIKeyMUEVFUZRKKMCPO-UHFFFAOYSA-N
MW511.48 g/mol
LogP7.01
Rot. Bonds5

About 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine

3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine (PubChem CID 140617931) has the molecular formula C29H17F4N5 and a molecular weight of 511.48 g/mol. Its IUPAC name is 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine.

Molecular Properties

Compound Name3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine
PubChem CID140617931
Molecular FormulaC29H17F4N5
Molecular Weight511.48 g/mol
Exact Mass511.14
IUPAC Name3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine
SMILESFc1ccc(-n2ccc(-c3ccnc(-c4ccccc4)c3-c3ccn(-c4ccc(F)cc4F)n3)n2)c(F)c1
InChIInChI=1S/C29H17F4N5/c30-19-6-8-26(22(32)16-19)37-14-11-24(35-37)21-10-13-34-29(18-4-2-1-3-5-18)28(21)25-12-15-38(36-25)27-9-7-20(31)17-23(27)33/h1-17H
InChIKeyMUEVFUZRKKMCPO-UHFFFAOYSA-N
XLogP7.01
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
Nerispirdine
CID 3081185
GW-6604
CID 9861063
3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine?
The IUPAC name of 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine (CID 140617931) is 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine.
What is the SMILES notation for 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine?
The canonical SMILES for 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine is Fc1ccc(-n2ccc(-c3ccnc(-c4ccccc4)c3-c3ccn(-c4ccc(F)cc4F)n3)n2)c(F)c1.
What is the InChIKey of 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine?
The InChIKey is MUEVFUZRKKMCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F4N5/c30-19-6-8-26(22(32)16-19)37-14-11-24(35-37)21-10-13-34-29(18-4-2-1-3-5-18)28(21)25-12-15-38(36-25)27-9-7-20(31)17-23(27)33/h1-17H.
What are the key properties of 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine?
3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine has a molecular weight of 511.48 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine is sourced from PubChem (CID 140617931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).