1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol

C29H25F4N3O3 — CID 24959818

IUPAC1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol
SMILESCC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1
InChIInChI=1S/C29H25F4N3O3/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18/h3-14,16,22,37H,15,17H2,1-2H3
InChIKeyRANSLLPENJTIPL-UHFFFAOYSA-N
MW539.53 g/mol
LogP6.04
Rot. Bonds5

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

1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol (PubChem CID 24959818) has the molecular formula C29H25F4N3O3 and a molecular weight of 539.53 g/mol. Its IUPAC name is 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol
PubChem CID24959818
Molecular FormulaC29H25F4N3O3
Molecular Weight539.53 g/mol
Exact Mass539.18
IUPAC Name1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol
SMILESCC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1
InChIInChI=1S/C29H25F4N3O3/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18/h3-14,16,22,37H,15,17H2,1-2H3
InChIKeyRANSLLPENJTIPL-UHFFFAOYSA-N
XLogP6.04
TPSA60.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.53
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
The IUPAC name of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol (CID 24959818) is 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol.
What is the SMILES notation for 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
The canonical SMILES for 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol is CC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1.
What is the InChIKey of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
The InChIKey is RANSLLPENJTIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N3O3/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18/h3-14,16,22,37H,15,17H2,1-2H3.
What are the key properties of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol has a molecular weight of 539.53 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol is sourced from PubChem (CID 24959818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).