2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol

C24H17F4N3O — CID 24959819

IUPAC2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H17F4N3O/c1-30-14-20(19-4-2-3-5-21(19)30)23(32,24(26,27)28)16-10-11-31-18(12-16)13-29-22(31)15-6-8-17(25)9-7-15/h2-14,32H,1H3
InChIKeyIPXQYBGJSKZJQL-UHFFFAOYSA-N
MW439.41 g/mol
LogP5.43
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol

2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol (PubChem CID 24959819) has the molecular formula C24H17F4N3O and a molecular weight of 439.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol
PubChem CID24959819
Molecular FormulaC24H17F4N3O
Molecular Weight439.41 g/mol
Exact Mass439.13
IUPAC Name2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H17F4N3O/c1-30-14-20(19-4-2-3-5-21(19)30)23(32,24(26,27)28)16-10-11-31-18(12-16)13-29-22(31)15-6-8-17(25)9-7-15/h2-14,32H,1H3
InChIKeyIPXQYBGJSKZJQL-UHFFFAOYSA-N
XLogP5.43
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyp11B2-IN-1
CID 56645363
TP003
CID 10001434
2-[2-Fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
CID 10000391
2-[5-(1-Cyclopropyl-5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-yl]propan-2-ol
CID 56645568
1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 664724
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-3-yl)ethanol
CID 45486477
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-4-yl)ethanol
CID 45486485
2-(5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730379
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
6-Fluoro-2-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 86730382
2-[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]propan-2-ol
CID 89471892

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol (CID 24959819) is 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol is Cn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol?
The InChIKey is IPXQYBGJSKZJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O/c1-30-14-20(19-4-2-3-5-21(19)30)23(32,24(26,27)28)16-10-11-31-18(12-16)13-29-22(31)15-6-8-17(25)9-7-15/h2-14,32H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol?
2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol has a molecular weight of 439.41 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 24959819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).