(3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C31H28F5N5O4 — CID 166782847

About (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 166782847) has the molecular formula C31H28F5N5O4 and a molecular weight of 629.59 g/mol. Its IUPAC name is (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 166782847
• Molecular Formula: C31H28F5N5O4
• Molecular Weight: 629.59 g/mol
• Exact Mass: 629.21
• IUPAC Name: (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-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(C)C(=O)NCCF)C(F)(F)F)cc2cc(C)nnc12
• InChI: InChI=1S/C31H28F5N5O4/c1-16-10-18-11-19(12-24(44-3)25(18)41-40-16)28(42)38-14-22(31(34,35)36)23-13-21-27(26(39-23)17-4-6-20(33)7-5-17)45-15-30(21,2)29(43)37-9-8-32/h4-7,10-13,22H,8-9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t22?,30-/m0/s1
• InChIKey: SISVSNXGNMDOMX-YBJSGSKQSA-N
• XLogP: 4.96
• TPSA: 115.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.59
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 166782847) is (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-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(C)C(=O)NCCF)C(F)(F)F)cc2cc(C)nnc12.

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

The InChIKey is SISVSNXGNMDOMX-YBJSGSKQSA-N. The full InChI is InChI=1S/C31H28F5N5O4/c1-16-10-18-11-19(12-24(44-3)25(18)41-40-16)28(42)38-14-22(31(34,35)36)23-13-21-27(26(39-23)17-4-6-20(33)7-5-17)45-15-30(21,2)29(43)37-9-8-32/h4-7,10-13,22H,8-9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t22?,30-/m0/s1.

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

(3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 629.59 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166782847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).