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

C32H28F4N4O4 — CID 156809935

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H28F4N4O4/c33-21-7-3-17(4-8-21)27-28-23(31(37,16-43-28)32(34,35)36)14-25(40-27)30(42,20-5-6-20)15-39-29(41)19-12-18-2-1-11-38-26(18)24(13-19)44-22-9-10-22/h1-4,7-8,11-14,20,22,42H,5-6,9-10,15-16,37H2,(H,39,41)/t30-,31+/m1/s1
InChIKeyORGAWRNOOZUWGT-JSOSNVBQSA-N
MW608.59 g/mol
LogP5.11
Rot. Bonds8

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

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 156809935) has the molecular formula C32H28F4N4O4 and a molecular weight of 608.59 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-cyclopropyl-2-hydroxyethyl]-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-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide
PubChem CID156809935
Molecular FormulaC32H28F4N4O4
Molecular Weight608.59 g/mol
Exact Mass608.20
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H28F4N4O4/c33-21-7-3-17(4-8-21)27-28-23(31(37,16-43-28)32(34,35)36)14-25(40-27)30(42,20-5-6-20)15-39-29(41)19-12-18-2-1-11-38-26(18)24(13-19)44-22-9-10-22/h1-4,7-8,11-14,20,22,42H,5-6,9-10,15-16,37H2,(H,39,41)/t30-,31+/m1/s1
InChIKeyORGAWRNOOZUWGT-JSOSNVBQSA-N
XLogP5.11
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.59
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-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-cyclopropyl-2-hydroxyethyl]-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-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 156809935) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-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-cyclopropyl-2-hydroxyethyl]-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-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide is N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)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-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The InChIKey is ORGAWRNOOZUWGT-JSOSNVBQSA-N. The full InChI is InChI=1S/C32H28F4N4O4/c33-21-7-3-17(4-8-21)27-28-23(31(37,16-43-28)32(34,35)36)14-25(40-27)30(42,20-5-6-20)15-39-29(41)19-12-18-2-1-11-38-26(18)24(13-19)44-22-9-10-22/h1-4,7-8,11-14,20,22,42H,5-6,9-10,15-16,37H2,(H,39,41)/t30-,31+/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-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 608.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 156809935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).