(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

C31H25F8N3O2 — CID 148890501

IUPAC(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
SMILESO=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(OC(F)(F)F)c1)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C31H25F8N3O2/c32-21-12-18(13-22(33)16-21)11-20(14-23(43)17-42-27-9-2-1-7-26(27)29(41-42)30(34,35)36)28-25(8-4-10-40-28)19-5-3-6-24(15-19)44-31(37,38)39/h3-6,8,10,12-13,15-16,20H,1-2,7,9,11,14,17H2/t20-/m1/s1
InChIKeyPEVDTQDXJOKSCM-HXUWFJFHSA-N
MW623.54 g/mol
LogP8.01
Rot. Bonds9

About (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (PubChem CID 148890501) has the molecular formula C31H25F8N3O2 and a molecular weight of 623.54 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
PubChem CID148890501
Molecular FormulaC31H25F8N3O2
Molecular Weight623.54 g/mol
Exact Mass623.18
IUPAC Name(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
SMILESO=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(OC(F)(F)F)c1)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C31H25F8N3O2/c32-21-12-18(13-22(33)16-21)11-20(14-23(43)17-42-27-9-2-1-7-26(27)29(41-42)30(34,35)36)28-25(8-4-10-40-28)19-5-3-6-24(15-19)44-31(37,38)39/h3-6,8,10,12-13,15-16,20H,1-2,7,9,11,14,17H2/t20-/m1/s1
InChIKeyPEVDTQDXJOKSCM-HXUWFJFHSA-N
XLogP8.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.54
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one with MolForge

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Related Compounds

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US20240140938, Example 27
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US20240140938, Example 62
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1-(2-Fluoro-4-pyridin-2-ylphenyl)-3-[2-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyridazin-4-one
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2-(4-fluorophenyl)-6-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
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4-[1-[(4-Fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
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4-[3-(4-Fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine
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4-[1-[[4-(Difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (CID 148890501) is (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(OC(F)(F)F)c1)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
The InChIKey is PEVDTQDXJOKSCM-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H25F8N3O2/c32-21-12-18(13-22(33)16-21)11-20(14-23(43)17-42-27-9-2-1-7-26(27)29(41-42)30(34,35)36)28-25(8-4-10-40-28)19-5-3-6-24(15-19)44-31(37,38)39/h3-6,8,10,12-13,15-16,20H,1-2,7,9,11,14,17H2/t20-/m1/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one has a molecular weight of 623.54 g/mol, XLogP of 8.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is sourced from PubChem (CID 148890501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).