2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine

C31H27F4N3O2 — CID 166672549

IUPAC2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine
SMILESC=C(NCC(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C(F)(F)F)C1CC1)c1cc(OC)c2ncccc2c1
InChIInChI=1S/C31H27F4N3O2/c1-17(21-12-20-4-3-11-36-28(20)27(13-21)39-2)37-15-24(18-5-6-18)26-14-23-25(31(33,34)35)16-40-30(23)29(38-26)19-7-9-22(32)10-8-19/h3-4,7-14,18,24-25,37H,1,5-6,15-16H2,2H3
InChIKeyIAPYGQAWBFXERF-UHFFFAOYSA-N
MW549.57 g/mol
LogP7.24
Rot. Bonds8

About 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine

2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine (PubChem CID 166672549) has the molecular formula C31H27F4N3O2 and a molecular weight of 549.57 g/mol. Its IUPAC name is 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine
PubChem CID166672549
Molecular FormulaC31H27F4N3O2
Molecular Weight549.57 g/mol
Exact Mass549.20
IUPAC Name2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine
SMILESC=C(NCC(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C(F)(F)F)C1CC1)c1cc(OC)c2ncccc2c1
InChIInChI=1S/C31H27F4N3O2/c1-17(21-12-20-4-3-11-36-28(20)27(13-21)39-2)37-15-24(18-5-6-18)26-14-23-25(31(33,34)35)16-40-30(23)29(38-26)19-7-9-22(32)10-8-19/h3-4,7-14,18,24-25,37H,1,5-6,15-16H2,2H3
InChIKeyIAPYGQAWBFXERF-UHFFFAOYSA-N
XLogP7.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.57
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine 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 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine?
The IUPAC name of 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine (CID 166672549) is 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine is C=C(NCC(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C(F)(F)F)C1CC1)c1cc(OC)c2ncccc2c1.
What is the InChIKey of 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine?
The InChIKey is IAPYGQAWBFXERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F4N3O2/c1-17(21-12-20-4-3-11-36-28(20)27(13-21)39-2)37-15-24(18-5-6-18)26-14-23-25(31(33,34)35)16-40-30(23)29(38-26)19-7-9-22(32)10-8-19/h3-4,7-14,18,24-25,37H,1,5-6,15-16H2,2H3.
What are the key properties of 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine?
2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine has a molecular weight of 549.57 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-[1-(8-methoxyquinolin-6-yl)ethenyl]ethanamine is sourced from PubChem (CID 166672549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).