(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one

C31H31F4NO5 — CID 160784339

About (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one

(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one (PubChem CID 160784339) has the molecular formula C31H31F4NO5 and a molecular weight of 573.58 g/mol. Its IUPAC name is (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one.

Molecular Properties

• Compound Name: (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
• PubChem CID: 160784339
• Molecular Formula: C31H31F4NO5
• Molecular Weight: 573.58 g/mol
• Exact Mass: 573.21
• IUPAC Name: (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
• SMILES: COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1
• InChI: InChI=1S/C31H31F4NO5/c1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20/h5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3/t30-/m1/s1
• InChIKey: ZTQGOBLFIBOSHD-SSEXGKCCSA-N
• XLogP: 6.83
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.58
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?

The IUPAC name of (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one (CID 160784339) is (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one.

What is the SMILES notation for (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?

The canonical SMILES for (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one is COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.

What is the InChIKey of (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?

The InChIKey is ZTQGOBLFIBOSHD-SSEXGKCCSA-N. The full InChI is InChI=1S/C31H31F4NO5/c1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20/h5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3/t30-/m1/s1.

What are the key properties of (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?

(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one has a molecular weight of 573.58 g/mol, XLogP of 6.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one is sourced from PubChem (CID 160784339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).