cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol

C30H37N3O4 — CID 143784822

About cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol

cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol (PubChem CID 143784822) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol.

Molecular Properties

• Compound Name: cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol
• PubChem CID: 143784822
• Molecular Formula: C30H37N3O4
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.28
• IUPAC Name: cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol
• SMILES: COC12CCC3C4CCC5=Cc6c(cnn6-c6ccccn6)CC5(C)C4C(O)CC31OC2.O=CC1CC1
• InChI: InChI=1S/C26H31N3O3.C4H6O/c1-24-12-16-14-28-29(22-5-3-4-10-27-22)20(16)11-17(24)6-7-18-19-8-9-25(31-2)15-32-26(19,25)13-21(30)23(18)24;5-3-4-1-2-4/h3-5,10-11,14,18-19,21,23,30H,6-9,12-13,15H2,1-2H3;3-4H,1-2H2
• InChIKey: GCAGXIASAPLLEI-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 86.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol?

The IUPAC name of cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol (CID 143784822) is cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol.

What is the SMILES notation for cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol?

The canonical SMILES for cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol is COC12CCC3C4CCC5=Cc6c(cnn6-c6ccccn6)CC5(C)C4C(O)CC31OC2.O=CC1CC1.

What is the InChIKey of cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol?

The InChIKey is GCAGXIASAPLLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3.C4H6O/c1-24-12-16-14-28-29(22-5-3-4-10-27-22)20(16)11-17(24)6-7-18-19-8-9-25(31-2)15-32-26(19,25)13-21(30)23(18)24;5-3-4-1-2-4/h3-5,10-11,14,18-19,21,23,30H,6-9,12-13,15H2,1-2H3;3-4H,1-2H2.

What are the key properties of cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol?

cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol has a molecular weight of 503.64 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbaldehyde;17-methoxy-2-methyl-7-pyridin-2-yl-19-oxa-6,7-diazahexacyclo[11.9.0.02,10.04,8.014,20.017,20]docosa-4(8),5,9-trien-22-ol is sourced from PubChem (CID 143784822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).