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

C32H28F4N4O6 — CID 166783040

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

5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 166783040) has the molecular formula C32H28F4N4O6 and a molecular weight of 640.59 g/mol. Its IUPAC name is 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 166783040
• Molecular Formula: C32H28F4N4O6
• Molecular Weight: 640.59 g/mol
• Exact Mass: 640.19
• IUPAC Name: 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: CC1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3nc(CO)ccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C32H28F4N4O6/c1-30(29(37)43)15-45-27-22(30)12-24(40-26(27)16-2-5-19(33)6-3-16)31(44,32(34,35)36)14-38-28(42)18-10-17-4-7-20(13-41)39-25(17)23(11-18)46-21-8-9-21/h2-7,10-12,21,41,44H,8-9,13-15H2,1H3,(H2,37,43)(H,38,42)
• InChIKey: ASJMQTRZDDDBJQ-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 156.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.59
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 166783040) is 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CC1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3nc(CO)ccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.

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

The InChIKey is ASJMQTRZDDDBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F4N4O6/c1-30(29(37)43)15-45-27-22(30)12-24(40-26(27)16-2-5-19(33)6-3-16)31(44,32(34,35)36)14-38-28(42)18-10-17-4-7-20(13-41)39-25(17)23(11-18)46-21-8-9-21/h2-7,10-12,21,41,44H,8-9,13-15H2,1H3,(H2,37,43)(H,38,42).

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

5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 640.59 g/mol, XLogP of 3.78, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).