(3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide

C31H25ClF6N4O5 — CID 166783203

About (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 166783203) has the molecular formula C31H25ClF6N4O5 and a molecular weight of 683.01 g/mol. Its IUPAC name is (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 166783203
• Molecular Formula: C31H25ClF6N4O5
• Molecular Weight: 683.01 g/mol
• Exact Mass: 682.14
• IUPAC Name: (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: CNC(=O)[C@@]1(C)COc2c1cc(C(O)(CNC(=O)c1cc(OC)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C31H25ClF6N4O5/c1-28(27(44)39-2)14-47-25-20(28)11-22(42-24(25)15-4-6-18(7-5-15)30(33,34)35)29(45,31(36,37)38)13-41-26(43)17-8-16-9-19(32)12-40-23(16)21(10-17)46-3/h4-12,45H,13-14H2,1-3H3,(H,39,44)(H,41,43)/t28-,29?/m0/s1
• InChIKey: CPYBORVBLJVRIB-XLTVJXRZSA-N
• XLogP: 5.55
• TPSA: 122.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.01
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 166783203) is (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide is CNC(=O)[C@@]1(C)COc2c1cc(C(O)(CNC(=O)c1cc(OC)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is CPYBORVBLJVRIB-XLTVJXRZSA-N. The full InChI is InChI=1S/C31H25ClF6N4O5/c1-28(27(44)39-2)14-47-25-20(28)11-22(42-24(25)15-4-6-18(7-5-15)30(33,34)35)29(45,31(36,37)38)13-41-26(43)17-8-16-9-19(32)12-40-23(16)21(10-17)46-3/h4-12,45H,13-14H2,1-3H3,(H,39,44)(H,41,43)/t28-,29?/m0/s1.

What are the key properties of (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 683.01 g/mol, XLogP of 5.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166783203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).