8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C28H33F3N6O2 — CID 175512325

IUPAC8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(C(F)(OCCN5CCC(C)(C)C5)C(F)F)nc4)cc3c21
InChIInChI=1S/C28H33F3N6O2/c1-17(2)37-23-20-14-18(6-8-21(20)33-34-24(23)35(5)26(37)38)19-7-9-22(32-15-19)28(31,25(29)30)39-13-12-36-11-10-27(3,4)16-36/h6-9,14-15,17,25H,10-13,16H2,1-5H3
InChIKeyJQDFEOKTQQTPHF-UHFFFAOYSA-N
MW542.61 g/mol
LogP5.06
Rot. Bonds8

About 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 175512325) has the molecular formula C28H33F3N6O2 and a molecular weight of 542.61 g/mol. Its IUPAC name is 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID175512325
Molecular FormulaC28H33F3N6O2
Molecular Weight542.61 g/mol
Exact Mass542.26
IUPAC Name8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(C(F)(OCCN5CCC(C)(C)C5)C(F)F)nc4)cc3c21
InChIInChI=1S/C28H33F3N6O2/c1-17(2)37-23-20-14-18(6-8-21(20)33-34-24(23)35(5)26(37)38)19-7-9-22(32-15-19)28(31,25(29)30)39-13-12-36-11-10-27(3,4)16-36/h6-9,14-15,17,25H,10-13,16H2,1-5H3
InChIKeyJQDFEOKTQQTPHF-UHFFFAOYSA-N
XLogP5.06
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.61
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one 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 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 175512325) is 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(C(F)(OCCN5CCC(C)(C)C5)C(F)F)nc4)cc3c21.
What is the InChIKey of 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is JQDFEOKTQQTPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O2/c1-17(2)37-23-20-14-18(6-8-21(20)33-34-24(23)35(5)26(37)38)19-7-9-22(32-15-19)28(31,25(29)30)39-13-12-36-11-10-27(3,4)16-36/h6-9,14-15,17,25H,10-13,16H2,1-5H3.
What are the key properties of 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 542.61 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[1-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]-1,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 175512325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).