9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene

C23H16N4O2 — CID 18183182

IUPAC9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
SMILESc1ccc(C2=Nn3cc(-c4cccnc4)nc3Cc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C23H16N4O2/c1-2-5-15(6-3-1)23-18-11-21-20(28-14-29-21)9-17(18)10-22-25-19(13-27(22)26-23)16-7-4-8-24-12-16/h1-9,11-13H,10,14H2
InChIKeyIFUWQNXOJFWPJE-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.88
Rot. Bonds2

About 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene

9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene (PubChem CID 18183182) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene.

Molecular Properties

Compound Name9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
PubChem CID18183182
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
SMILESc1ccc(C2=Nn3cc(-c4cccnc4)nc3Cc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C23H16N4O2/c1-2-5-15(6-3-1)23-18-11-21-20(28-14-29-21)9-17(18)10-22-25-19(13-27(22)26-23)16-7-4-8-24-12-16/h1-9,11-13H,10,14H2
InChIKeyIFUWQNXOJFWPJE-UHFFFAOYSA-N
XLogP3.88
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
The IUPAC name of 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene (CID 18183182) is 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene.
What is the SMILES notation for 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
The canonical SMILES for 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene is c1ccc(C2=Nn3cc(-c4cccnc4)nc3Cc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
The InChIKey is IFUWQNXOJFWPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-2-5-15(6-3-1)23-18-11-21-20(28-14-29-21)9-17(18)10-22-25-19(13-27(22)26-23)16-7-4-8-24-12-16/h1-9,11-13H,10,14H2.
What are the key properties of 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene has a molecular weight of 380.41 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-5-pyridin-3-yl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene is sourced from PubChem (CID 18183182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).