4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one

C32H34N2O6 — CID 167555451

About 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one

4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one (PubChem CID 167555451) has the molecular formula C32H34N2O6 and a molecular weight of 542.63 g/mol. Its IUPAC name is 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one
• PubChem CID: 167555451
• Molecular Formula: C32H34N2O6
• Molecular Weight: 542.63 g/mol
• Exact Mass: 542.24
• IUPAC Name: 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one
• SMILES: COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3)C2CC2)ccc1OCCO
• InChI: InChI=1S/C32H34N2O6/c1-19-4-3-5-23-24(18-33-29(19)23)30-31-21(11-14-40-31)17-28(34-30)32(37,22-7-8-22)12-10-25(36)20-6-9-26(39-15-13-35)27(16-20)38-2/h3-6,9,16-18,22,33,35,37H,7-8,10-15H2,1-2H3
• InChIKey: HPWNZZZUMSNPCH-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 113.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.63
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one?

The IUPAC name of 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one (CID 167555451) is 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one.

What is the SMILES notation for 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one?

The canonical SMILES for 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3)C2CC2)ccc1OCCO.

What is the InChIKey of 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one?

The InChIKey is HPWNZZZUMSNPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O6/c1-19-4-3-5-23-24(18-33-29(19)23)30-31-21(11-14-40-31)17-28(34-30)32(37,22-7-8-22)12-10-25(36)20-6-9-26(39-15-13-35)27(16-20)38-2/h3-6,9,16-18,22,33,35,37H,7-8,10-15H2,1-2H3.

What are the key properties of 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one?

4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one has a molecular weight of 542.63 g/mol, XLogP of 5.11, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one is sourced from PubChem (CID 167555451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).