2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine

C23H19F3N4O — CID 135246659

IUPAC2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine
SMILESCOc1cc(F)ccc1-c1cccnc1Cc1ccc(C(F)(F)Cn2cccn2)nc1
InChIInChI=1S/C23H19F3N4O/c1-31-21-13-17(24)6-7-19(21)18-4-2-9-27-20(18)12-16-5-8-22(28-14-16)23(25,26)15-30-11-3-10-29-30/h2-11,13-14H,12,15H2,1H3
InChIKeyZZOFVNRPRZZNCM-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.87
Rot. Bonds7

About 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine

2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine (PubChem CID 135246659) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine
PubChem CID135246659
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine
SMILESCOc1cc(F)ccc1-c1cccnc1Cc1ccc(C(F)(F)Cn2cccn2)nc1
InChIInChI=1S/C23H19F3N4O/c1-31-21-13-17(24)6-7-19(21)18-4-2-9-27-20(18)12-16-5-8-22(28-14-16)23(25,26)15-30-11-3-10-29-30/h2-11,13-14H,12,15H2,1H3
InChIKeyZZOFVNRPRZZNCM-UHFFFAOYSA-N
XLogP4.87
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine?
The IUPAC name of 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine (CID 135246659) is 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine?
The canonical SMILES for 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine is COc1cc(F)ccc1-c1cccnc1Cc1ccc(C(F)(F)Cn2cccn2)nc1.
What is the InChIKey of 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine?
The InChIKey is ZZOFVNRPRZZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-31-21-13-17(24)6-7-19(21)18-4-2-9-27-20(18)12-16-5-8-22(28-14-16)23(25,26)15-30-11-3-10-29-30/h2-11,13-14H,12,15H2,1H3.
What are the key properties of 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine?
2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine has a molecular weight of 424.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine is sourced from PubChem (CID 135246659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).