3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol

C25H25FN4O — CID 69350180

IUPAC3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccc2F)nc1
InChIInChI=1S/C25H25FN4O/c1-4-25(31,5-2)18-10-12-22(27-14-18)19-13-17(9-11-21(19)26)20-15-28-30-24(20)23-8-6-7-16(3)29-23/h6-15,31H,4-5H2,1-3H3,(H,28,30)
InChIKeyYIRMFZDOSWIXRG-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.66
Rot. Bonds6

About 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol

3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol (PubChem CID 69350180) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol.

Molecular Properties

Compound Name3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
PubChem CID69350180
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccc2F)nc1
InChIInChI=1S/C25H25FN4O/c1-4-25(31,5-2)18-10-12-22(27-14-18)19-13-17(9-11-21(19)26)20-15-28-30-24(20)23-8-6-7-16(3)29-23/h6-15,31H,4-5H2,1-3H3,(H,28,30)
InChIKeyYIRMFZDOSWIXRG-UHFFFAOYSA-N
XLogP5.66
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol with MolForge

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Related Compounds

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2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
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[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl]methanol
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(+/-)-5-(4-Fluorophenyl)-3-(7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(pyridin-4-yl)pyrazole
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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol?
The IUPAC name of 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol (CID 69350180) is 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol.
What is the SMILES notation for 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol?
The canonical SMILES for 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol is CCC(O)(CC)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccc2F)nc1.
What is the InChIKey of 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol?
The InChIKey is YIRMFZDOSWIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-4-25(31,5-2)18-10-12-22(27-14-18)19-13-17(9-11-21(19)26)20-15-28-30-24(20)23-8-6-7-16(3)29-23/h6-15,31H,4-5H2,1-3H3,(H,28,30).
What are the key properties of 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol?
3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol has a molecular weight of 416.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol is sourced from PubChem (CID 69350180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).