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N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide

C31H23F5N4O4 — CID 156872838

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN#CC1(CF)COc2c1cc([C@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C31H23F5N4O4/c32-13-29(14-37)16-43-27-22(29)12-24(40-26(27)17-3-5-20(33)6-4-17)30(42,31(34,35)36)15-39-28(41)19-10-18-2-1-9-38-25(18)23(11-19)44-21-7-8-21/h1-6,9-12,21,42H,7-8,13,15-16H2,(H,39,41)/t29?,30-/m1/s1
InChIKeyLIMHCVKHTSVKPL-BDCODIICSA-N
MW610.54 g/mol
LogP5.28
Rot. Bonds8

About N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide

N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 156872838) has the molecular formula C31H23F5N4O4 and a molecular weight of 610.54 g/mol. Its IUPAC name is N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
PubChem CID156872838
Molecular FormulaC31H23F5N4O4
Molecular Weight610.54 g/mol
Exact Mass610.16
IUPAC NameN-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN#CC1(CF)COc2c1cc([C@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C31H23F5N4O4/c32-13-29(14-37)16-43-27-22(29)12-24(40-26(27)17-3-5-20(33)6-4-17)30(42,31(34,35)36)15-39-28(41)19-10-18-2-1-9-38-25(18)23(11-19)44-21-7-8-21/h1-6,9-12,21,42H,7-8,13,15-16H2,(H,39,41)/t29?,30-/m1/s1
InChIKeyLIMHCVKHTSVKPL-BDCODIICSA-N
XLogP5.28
TPSA117.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.54
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The IUPAC name of N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 156872838) is N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The canonical SMILES for N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is N#CC1(CF)COc2c1cc([C@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The InChIKey is LIMHCVKHTSVKPL-BDCODIICSA-N. The full InChI is InChI=1S/C31H23F5N4O4/c32-13-29(14-37)16-43-27-22(29)12-24(40-26(27)17-3-5-20(33)6-4-17)30(42,31(34,35)36)15-39-28(41)19-10-18-2-1-9-38-25(18)23(11-19)44-21-7-8-21/h1-6,9-12,21,42H,7-8,13,15-16H2,(H,39,41)/t29?,30-/m1/s1.
What are the key properties of N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 610.54 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 156872838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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