2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone

C24H26N4O3 — CID 110071930

IUPAC2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)cn1
InChIInChI=1S/C24H26N4O3/c1-18-15-27-20(16-26-18)24(29)28-13-6-2-3-7-14-30-21-10-4-5-11-22(21)31-23-19(17-28)9-8-12-25-23/h4-5,8-12,15-16H,2-3,6-7,13-14,17H2,1H3
InChIKeyHTFDHLDCBDZVIJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.57
Rot. Bonds1

About 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone

2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone (PubChem CID 110071930) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone
PubChem CID110071930
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)cn1
InChIInChI=1S/C24H26N4O3/c1-18-15-27-20(16-26-18)24(29)28-13-6-2-3-7-14-30-21-10-4-5-11-22(21)31-23-19(17-28)9-8-12-25-23/h4-5,8-12,15-16H,2-3,6-7,13-14,17H2,1H3
InChIKeyHTFDHLDCBDZVIJ-UHFFFAOYSA-N
XLogP4.57
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone (CID 110071930) is 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)cn1.
What is the InChIKey of 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone?
The InChIKey is HTFDHLDCBDZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-18-15-27-20(16-26-18)24(29)28-13-6-2-3-7-14-30-21-10-4-5-11-22(21)31-23-19(17-28)9-8-12-25-23/h4-5,8-12,15-16H,2-3,6-7,13-14,17H2,1H3.
What are the key properties of 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone?
2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone has a molecular weight of 418.50 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 110071930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).