N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide

C30H26F4N4O5 — CID 165436718

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@](O)(CO)CNC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H26F4N4O5/c31-19-5-3-16(4-6-19)25-26-21(29(35,15-42-26)30(32,33)34)12-23(38-25)28(41,14-39)13-37-27(40)18-10-17-2-1-9-36-24(17)22(11-18)43-20-7-8-20/h1-6,9-12,20,39,41H,7-8,13-15,35H2,(H,37,40)/t28-,29+/m1/s1
InChIKeyREYJCUJUSIXKPY-WDYNHAJCSA-N
MW598.55 g/mol
LogP3.70
Rot. Bonds8

About N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 165436718) has the molecular formula C30H26F4N4O5 and a molecular weight of 598.55 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
PubChem CID165436718
Molecular FormulaC30H26F4N4O5
Molecular Weight598.55 g/mol
Exact Mass598.18
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@](O)(CO)CNC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H26F4N4O5/c31-19-5-3-16(4-6-19)25-26-21(29(35,15-42-26)30(32,33)34)12-23(38-25)28(41,14-39)13-37-27(40)18-10-17-2-1-9-36-24(17)22(11-18)43-20-7-8-20/h1-6,9-12,20,39,41H,7-8,13-15,35H2,(H,37,40)/t28-,29+/m1/s1
InChIKeyREYJCUJUSIXKPY-WDYNHAJCSA-N
XLogP3.70
TPSA139.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.55
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 165436718) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is N[C@@]1(C(F)(F)F)COc2c1cc([C@](O)(CO)CNC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The InChIKey is REYJCUJUSIXKPY-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H26F4N4O5/c31-19-5-3-16(4-6-19)25-26-21(29(35,15-42-26)30(32,33)34)12-23(38-25)28(41,14-39)13-37-27(40)18-10-17-2-1-9-36-24(17)22(11-18)43-20-7-8-20/h1-6,9-12,20,39,41H,7-8,13-15,35H2,(H,37,40)/t28-,29+/m1/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 598.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2,3-dihydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 165436718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).