4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C29H35N3O6 — CID 159702694

About 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 159702694) has the molecular formula C29H35N3O6 and a molecular weight of 521.61 g/mol. Its IUPAC name is 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

• Compound Name: 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
• PubChem CID: 159702694
• Molecular Formula: C29H35N3O6
• Molecular Weight: 521.61 g/mol
• Exact Mass: 521.25
• IUPAC Name: 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
• SMILES: C=C1C=CC(c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(OC)c3)cc3c2OCC3(C)N)=CN1C
• InChI: InChI=1S/C29H35N3O6/c1-18-6-7-20(16-32(18)4)26-27-21(28(2,30)17-38-27)15-25(31-26)29(3,35)11-10-22(34)19-8-9-23(37-13-12-33)24(14-19)36-5/h6-9,14-16,33,35H,1,10-13,17,30H2,2-5H3
• InChIKey: NRKVOOAYKIJYCK-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 127.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.61
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The IUPAC name of 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 159702694) is 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

What is the SMILES notation for 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The canonical SMILES for 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is C=C1C=CC(c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(OC)c3)cc3c2OCC3(C)N)=CN1C.

What is the InChIKey of 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The InChIKey is NRKVOOAYKIJYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O6/c1-18-6-7-20(16-32(18)4)26-27-21(28(2,30)17-38-27)15-25(31-26)29(3,35)11-10-22(34)19-8-9-23(37-13-12-33)24(14-19)36-5/h6-9,14-16,33,35H,1,10-13,17,30H2,2-5H3.

What are the key properties of 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 521.61 g/mol, XLogP of 3.25, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 159702694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).