[5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

C24H23N3O3 — CID 45171661

About [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (PubChem CID 45171661) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

Molecular Properties

• Compound Name: [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• PubChem CID: 45171661
• Molecular Formula: C24H23N3O3
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.17
• IUPAC Name: [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• SMILES: COCc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2cccc(C)n2)o1
• InChI: InChI=1S/C24H23N3O3/c1-15-6-5-9-20(25-15)23-22-18(17-7-3-4-8-19(17)26-22)12-13-27(23)24(28)21-11-10-16(30-21)14-29-2/h3-11,23,26H,12-14H2,1-2H3
• InChIKey: IYLPGUBMOKYYSZ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 71.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (CID 45171661) is [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is COCc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2cccc(C)n2)o1.

What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The InChIKey is IYLPGUBMOKYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-6-5-9-20(25-15)23-22-18(17-7-3-4-8-19(17)26-22)12-13-27(23)24(28)21-11-10-16(30-21)14-29-2/h3-11,23,26H,12-14H2,1-2H3.

What are the key properties of [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

[5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is sourced from PubChem (CID 45171661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).