4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one

C30H33FN2O6 — CID 157437400

About 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one

4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one (PubChem CID 157437400) has the molecular formula C30H33FN2O6 and a molecular weight of 536.60 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-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-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one
• PubChem CID: 157437400
• Molecular Formula: C30H33FN2O6
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.23
• IUPAC Name: 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one
• SMILES: CC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OCCO)c1)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C30H33FN2O6/c1-29(32)17-38-28-22(29)16-26(33-27(28)18-3-6-20(31)7-4-18)30(2,36)12-11-23(35)19-5-10-24(39-21-8-9-21)25(15-19)37-14-13-34/h3-7,10,15-16,21,34,36H,8-9,11-14,17,32H2,1-2H3
• InChIKey: YWOKJBLIDIPQNN-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 124.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-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-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one (CID 157437400) is 4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-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-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-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-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one is CC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OCCO)c1)nc2-c1ccc(F)cc1.

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

The InChIKey is YWOKJBLIDIPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O6/c1-29(32)17-38-28-22(29)16-26(33-27(28)18-3-6-20(31)7-4-18)30(2,36)12-11-23(35)19-5-10-24(39-21-8-9-21)25(15-19)37-14-13-34/h3-7,10,15-16,21,34,36H,8-9,11-14,17,32H2,1-2H3.

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

4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one has a molecular weight of 536.60 g/mol, XLogP of 4.24, 11 rotatable bonds, 3 hydrogen bond donors, and 8 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-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one is sourced from PubChem (CID 157437400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).