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

C30H26F4N4O4 — CID 156809888

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

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 156809888) has the molecular formula C30H26F4N4O4 and a molecular weight of 582.55 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-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
• PubChem CID: 156809888
• Molecular Formula: C30H26F4N4O4
• Molecular Weight: 582.55 g/mol
• Exact Mass: 582.19
• IUPAC Name: N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
• SMILES: C[C@](O)(CNC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(N)C(F)(F)F
• InChI: InChI=1S/C30H26F4N4O4/c1-28(40,14-37-27(39)18-11-17-3-2-10-36-24(17)22(12-18)42-20-8-9-20)23-13-21-26(41-15-29(21,35)30(32,33)34)25(38-23)16-4-6-19(31)7-5-16/h2-7,10-13,20,40H,8-9,14-15,35H2,1H3,(H,37,39)/t28-,29-/m0/s1
• InChIKey: WTLSYFWFVPKABG-VMPREFPWSA-N
• XLogP: 4.72
• TPSA: 119.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.55
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-hydroxypropyl]-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-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 156809888) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-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-hydroxypropyl]-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-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is C[C@](O)(CNC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(N)C(F)(F)F.

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-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?

The InChIKey is WTLSYFWFVPKABG-VMPREFPWSA-N. The full InChI is InChI=1S/C30H26F4N4O4/c1-28(40,14-37-27(39)18-11-17-3-2-10-36-24(17)22(12-18)42-20-8-9-20)23-13-21-26(41-15-29(21,35)30(32,33)34)25(38-23)16-4-6-19(31)7-5-16/h2-7,10-13,20,40H,8-9,14-15,35H2,1H3,(H,37,39)/t28-,29-/m0/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-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 582.55 g/mol, XLogP of 4.72, 7 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-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 156809888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).