5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C27H24F4N2O5 — CID 161026422

IUPAC5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)n3ccccc23)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C27H24F4N2O5/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)24-20-4-2-3-13-33(20)25(32-24)17-5-8-19(28)9-6-17/h2-10,13,16,34,36H,11-12,14-15H2,1H3
InChIKeyKWZITNSWFLSNOZ-UHFFFAOYSA-N
MW532.49 g/mol
LogP4.93
Rot. Bonds10

About 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 161026422) has the molecular formula C27H24F4N2O5 and a molecular weight of 532.49 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID161026422
Molecular FormulaC27H24F4N2O5
Molecular Weight532.49 g/mol
Exact Mass532.16
IUPAC Name5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)n3ccccc23)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C27H24F4N2O5/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)24-20-4-2-3-13-33(20)25(32-24)17-5-8-19(28)9-6-17/h2-10,13,16,34,36H,11-12,14-15H2,1H3
InChIKeyKWZITNSWFLSNOZ-UHFFFAOYSA-N
XLogP4.93
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one with MolForge

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Related Compounds

4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide
CID 122503170
4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 159996318
4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 159996317
4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 159129597
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 160789718
4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 152876435
4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158184316
4-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 161068453
N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide
CID 153153634
(4S)-4-[(3S)-3-(anilinomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 167707796
4-[4-(4-fluoro-3-methylphenyl)-5-methoxypyrimidin-2-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 162241747
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 161026422) is 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)n3ccccc23)C(F)(F)F)ccc1OCCO.
What is the InChIKey of 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is KWZITNSWFLSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N2O5/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)24-20-4-2-3-13-33(20)25(32-24)17-5-8-19(28)9-6-17/h2-10,13,16,34,36H,11-12,14-15H2,1H3.
What are the key properties of 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 532.49 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 161026422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).