(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C30H25F5N4O4 — CID 164911200

About (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164911200) has the molecular formula C30H25F5N4O4 and a molecular weight of 600.54 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 164911200
• Molecular Formula: C30H25F5N4O4
• Molecular Weight: 600.54 g/mol
• Exact Mass: 600.18
• IUPAC Name: (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(CF)C(N)=O)C(F)(F)F)cc2cc(C)cnc12
• InChI: InChI=1S/C30H25F5N4O4/c1-15-7-17-8-18(9-23(42-2)24(17)37-11-15)27(40)38-12-21(30(33,34)35)22-10-20-26(43-14-29(20,13-31)28(36)41)25(39-22)16-3-5-19(32)6-4-16/h3-11,21H,12-14H2,1-2H3,(H2,36,41)(H,38,40)/t21?,29-/m0/s1
• InChIKey: IOIISTGVAMZEIF-TXMUIZFDSA-N
• XLogP: 4.91
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.54
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164911200) is (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(CF)C(N)=O)C(F)(F)F)cc2cc(C)cnc12.

What is the InChIKey of (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is IOIISTGVAMZEIF-TXMUIZFDSA-N. The full InChI is InChI=1S/C30H25F5N4O4/c1-15-7-17-8-18(9-23(42-2)24(17)37-11-15)27(40)38-12-21(30(33,34)35)22-10-20-26(43-14-29(20,13-31)28(36)41)25(39-22)16-3-5-19(32)6-4-16/h3-11,21H,12-14H2,1-2H3,(H2,36,41)(H,38,40)/t21?,29-/m0/s1.

What are the key properties of (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 600.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164911200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).