(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C30H25F5N4O6 — CID 166783333

About (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 166783333) has the molecular formula C30H25F5N4O6 and a molecular weight of 632.54 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 166783333
• Molecular Formula: C30H25F5N4O6
• Molecular Weight: 632.54 g/mol
• Exact Mass: 632.17
• IUPAC Name: (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cc(F)c(CO)nc12
• InChI: InChI=1S/C30H25F5N4O6/c1-28(27(36)42)13-45-25-18(28)10-22(39-24(25)14-3-5-17(31)6-4-14)29(43,30(33,34)35)12-37-26(41)16-7-15-8-19(32)20(11-40)38-23(15)21(9-16)44-2/h3-10,40,43H,11-13H2,1-2H3,(H2,36,42)(H,37,41)/t28-,29-/m0/s1
• InChIKey: QLGXPXBEERJVQB-VMPREFPWSA-N
• XLogP: 3.39
• TPSA: 156.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.54
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 166783333) is (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cc(F)c(CO)nc12.

What is the InChIKey of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is QLGXPXBEERJVQB-VMPREFPWSA-N. The full InChI is InChI=1S/C30H25F5N4O6/c1-28(27(36)42)13-45-25-18(28)10-22(39-24(25)14-3-5-17(31)6-4-14)29(43,30(33,34)35)12-37-26(41)16-7-15-8-19(32)20(11-40)38-23(15)21(9-16)44-2/h3-10,40,43H,11-13H2,1-2H3,(H2,36,42)(H,37,41)/t28-,29-/m0/s1.

What are the key properties of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 632.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166783333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).