[10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone

C33H41N5O5 — CID 164690850

About [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone

[10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone (PubChem CID 164690850) has the molecular formula C33H41N5O5 and a molecular weight of 587.72 g/mol. Its IUPAC name is [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone.

Molecular Properties

• Compound Name: [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone
• PubChem CID: 164690850
• Molecular Formula: C33H41N5O5
• Molecular Weight: 587.72 g/mol
• Exact Mass: 587.31
• IUPAC Name: [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone
• SMILES: COc1nc2c(cc1C(=O)N1CCCCN(C(=O)C3CCCO3)CCOc3cccc(c3)-c3nccn3CCC1)CCC2
• InChI: InChI=1S/C33H41N5O5/c1-41-31-27(23-24-8-5-11-28(24)35-31)32(39)37-14-2-3-15-38(33(40)29-12-6-20-43-29)19-21-42-26-10-4-9-25(22-26)30-34-13-18-36(30)16-7-17-37/h4,9-10,13,18,22-23,29H,2-3,5-8,11-12,14-17,19-21H2,1H3
• InChIKey: USXCQQJZARGCNB-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 99.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.72
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone?

The IUPAC name of [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone (CID 164690850) is [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone.

What is the SMILES notation for [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone?

The canonical SMILES for [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone is COc1nc2c(cc1C(=O)N1CCCCN(C(=O)C3CCCO3)CCOc3cccc(c3)-c3nccn3CCC1)CCC2.

What is the InChIKey of [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone?

The InChIKey is USXCQQJZARGCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O5/c1-41-31-27(23-24-8-5-11-28(24)35-31)32(39)37-14-2-3-15-38(33(40)29-12-6-20-43-29)19-21-42-26-10-4-9-25(22-26)30-34-13-18-36(30)16-7-17-37/h4,9-10,13,18,22-23,29H,2-3,5-8,11-12,14-17,19-21H2,1H3.

What are the key properties of [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone?

[10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone has a molecular weight of 587.72 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 164690850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).