1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol

C25H22F4N2O — CID 141173562

IUPAC1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol
SMILESOC(CCCc1cccnc1)(c1cn(Cc2cccc(F)c2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C25H22F4N2O/c26-20-9-3-6-19(14-20)16-31-17-22(21-10-1-2-11-23(21)31)24(32,25(27,28)29)12-4-7-18-8-5-13-30-15-18/h1-3,5-6,8-11,13-15,17,32H,4,7,12,16H2
InChIKeyKPMUPLDHWBSHCG-UHFFFAOYSA-N
MW442.46 g/mol
LogP6.00
Rot. Bonds7

About 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol

1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol (PubChem CID 141173562) has the molecular formula C25H22F4N2O and a molecular weight of 442.46 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol
PubChem CID141173562
Molecular FormulaC25H22F4N2O
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Name1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol
SMILESOC(CCCc1cccnc1)(c1cn(Cc2cccc(F)c2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C25H22F4N2O/c26-20-9-3-6-19(14-20)16-31-17-22(21-10-1-2-11-23(21)31)24(32,25(27,28)29)12-4-7-18-8-5-13-30-15-18/h1-3,5-6,8-11,13-15,17,32H,4,7,12,16H2
InChIKeyKPMUPLDHWBSHCG-UHFFFAOYSA-N
XLogP6.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol with MolForge

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Related Compounds

2-(1-benzyl-6-nitroindol-3-yl)-1,1,1-trifluoro-3-(pyridin-3-ylamino)propan-2-ol
CID 159884503
3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine
CID 170986154
3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide
CID 166984636
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one
CID 164781493
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol (CID 141173562) is 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol is OC(CCCc1cccnc1)(c1cn(Cc2cccc(F)c2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol?
The InChIKey is KPMUPLDHWBSHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O/c26-20-9-3-6-19(14-20)16-31-17-22(21-10-1-2-11-23(21)31)24(32,25(27,28)29)12-4-7-18-8-5-13-30-15-18/h1-3,5-6,8-11,13-15,17,32H,4,7,12,16H2.
What are the key properties of 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol?
1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol has a molecular weight of 442.46 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol is sourced from PubChem (CID 141173562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).