4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one

C30H30F4N2O4 — CID 148841098

About 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one

4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one (PubChem CID 148841098) has the molecular formula C30H30F4N2O4 and a molecular weight of 558.57 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one.

Molecular Properties

• Compound Name: 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one
• PubChem CID: 148841098
• Molecular Formula: C30H30F4N2O4
• Molecular Weight: 558.57 g/mol
• Exact Mass: 558.21
• IUPAC Name: 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one
• SMILES: COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)ccc1CC1CC1
• InChI: InChI=1S/C30H30F4N2O4/c1-28(35)16-40-27-22(28)15-25(36-26(27)18-7-9-21(31)10-8-18)29(38,30(32,33)34)12-11-23(37)19-5-6-20(13-17-3-4-17)24(14-19)39-2/h5-10,14-15,17,38H,3-4,11-13,16,35H2,1-2H3
• InChIKey: OVOCMHSORIOJBI-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 94.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.57
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one?

The IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one (CID 148841098) is 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one.

What is the SMILES notation for 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one?

The canonical SMILES for 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)ccc1CC1CC1.

What is the InChIKey of 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one?

The InChIKey is OVOCMHSORIOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N2O4/c1-28(35)16-40-27-22(28)15-25(36-26(27)18-7-9-21(31)10-8-18)29(38,30(32,33)34)12-11-23(37)19-5-6-20(13-17-3-4-17)24(14-19)39-2/h5-10,14-15,17,38H,3-4,11-13,16,35H2,1-2H3.

What are the key properties of 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one?

4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one has a molecular weight of 558.57 g/mol, XLogP of 5.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(cyclopropylmethyl)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one is sourced from PubChem (CID 148841098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).