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

C32H28F4N4O5 — CID 165436717

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1COC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H28F4N4O5/c33-21-5-3-17(4-6-21)27-28-23(31(37,16-44-28)32(34,35)36)12-25(40-27)30(42,20-13-43-14-20)15-39-29(41)19-10-18-2-1-9-38-26(18)24(11-19)45-22-7-8-22/h1-6,9-12,20,22,42H,7-8,13-16,37H2,(H,39,41)/t30-,31+/m1/s1
InChIKeyOVPAKORFEOYIAY-JSOSNVBQSA-N
MW624.59 g/mol
LogP4.35
Rot. Bonds8

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

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 165436717) has the molecular formula C32H28F4N4O5 and a molecular weight of 624.59 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-hydroxy-2-(oxetan-3-yl)ethyl]-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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide
PubChem CID165436717
Molecular FormulaC32H28F4N4O5
Molecular Weight624.59 g/mol
Exact Mass624.20
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1COC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H28F4N4O5/c33-21-5-3-17(4-6-21)27-28-23(31(37,16-44-28)32(34,35)36)12-25(40-27)30(42,20-13-43-14-20)15-39-29(41)19-10-18-2-1-9-38-26(18)24(11-19)45-22-7-8-22/h1-6,9-12,20,22,42H,7-8,13-16,37H2,(H,39,41)/t30-,31+/m1/s1
InChIKeyOVPAKORFEOYIAY-JSOSNVBQSA-N
XLogP4.35
TPSA128.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.59
LogP ≤ 54.35
H-Bond Donors ≤ 53
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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide with MolForge

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Related Compounds

8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide
CID 156896076
US11420976, Example 30
CID 156809842
US11420976, Example 16
CID 156809888
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 55c
CID 156809965
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 18
CID 165436686
US11420976, Example 50
CID 165436711
US11420976, Example 55
CID 165436713

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-hydroxy-2-(oxetan-3-yl)ethyl]-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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 165436717) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-2-(oxetan-3-yl)ethyl]-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-hydroxy-2-(oxetan-3-yl)ethyl]-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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide is N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1COC1)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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The InChIKey is OVPAKORFEOYIAY-JSOSNVBQSA-N. The full InChI is InChI=1S/C32H28F4N4O5/c33-21-5-3-17(4-6-21)27-28-23(31(37,16-44-28)32(34,35)36)12-25(40-27)30(42,20-13-43-14-20)15-39-29(41)19-10-18-2-1-9-38-26(18)24(11-19)45-22-7-8-22/h1-6,9-12,20,22,42H,7-8,13-16,37H2,(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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 624.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 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-hydroxy-2-(oxetan-3-yl)ethyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 165436717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).