15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one

C19H14N4O — CID 70925463

IUPAC15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one
SMILESO=c1c2c(nc3c(-c4ccccn4)c[nH]n13)-c1ccccc1CC2
InChIInChI=1S/C19H14N4O/c24-19-14-9-8-12-5-1-2-6-13(12)17(14)22-18-15(11-21-23(18)19)16-7-3-4-10-20-16/h1-7,10-11,21H,8-9H2
InChIKeyLUAZMSZXBRIORH-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.85
Rot. Bonds1

About 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one

15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one (PubChem CID 70925463) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one.

Molecular Properties

Compound Name15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one
PubChem CID70925463
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one
SMILESO=c1c2c(nc3c(-c4ccccn4)c[nH]n13)-c1ccccc1CC2
InChIInChI=1S/C19H14N4O/c24-19-14-9-8-12-5-1-2-6-13(12)17(14)22-18-15(11-21-23(18)19)16-7-3-4-10-20-16/h1-7,10-11,21H,8-9H2
InChIKeyLUAZMSZXBRIORH-UHFFFAOYSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one?
The IUPAC name of 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one (CID 70925463) is 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one.
What is the SMILES notation for 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one?
The canonical SMILES for 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one is O=c1c2c(nc3c(-c4ccccn4)c[nH]n13)-c1ccccc1CC2.
What is the InChIKey of 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one?
The InChIKey is LUAZMSZXBRIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19-14-9-8-12-5-1-2-6-13(12)17(14)22-18-15(11-21-23(18)19)16-7-3-4-10-20-16/h1-7,10-11,21H,8-9H2.
What are the key properties of 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one?
15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one has a molecular weight of 314.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14,16-hexaen-11-one is sourced from PubChem (CID 70925463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).