5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one

C20H16N4O2 — CID 70925452

IUPAC5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one
SMILESCOc1ccc2c(c1)CCc1c-2nc2c(-c3ccccn3)c[nH]n2c1=O
InChIInChI=1S/C20H16N4O2/c1-26-13-6-8-14-12(10-13)5-7-15-18(14)23-19-16(11-22-24(19)20(15)25)17-4-2-3-9-21-17/h2-4,6,8-11,22H,5,7H2,1H3
InChIKeyMMTSHQAKZLEIJH-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.86
Rot. Bonds2

About 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one

5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one (PubChem CID 70925452) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one.

Molecular Properties

Compound Name5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one
PubChem CID70925452
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one
SMILESCOc1ccc2c(c1)CCc1c-2nc2c(-c3ccccn3)c[nH]n2c1=O
InChIInChI=1S/C20H16N4O2/c1-26-13-6-8-14-12(10-13)5-7-15-18(14)23-19-16(11-22-24(19)20(15)25)17-4-2-3-9-21-17/h2-4,6,8-11,22H,5,7H2,1H3
InChIKeyMMTSHQAKZLEIJH-UHFFFAOYSA-N
XLogP2.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one?
The IUPAC name of 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one (CID 70925452) is 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one.
What is the SMILES notation for 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one?
The canonical SMILES for 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one is COc1ccc2c(c1)CCc1c-2nc2c(-c3ccccn3)c[nH]n2c1=O.
What is the InChIKey of 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one?
The InChIKey is MMTSHQAKZLEIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-13-6-8-14-12(10-13)5-7-15-18(14)23-19-16(11-22-24(19)20(15)25)17-4-2-3-9-21-17/h2-4,6,8-11,22H,5,7H2,1H3.
What are the key properties of 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one?
5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one has a molecular weight of 344.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one is sourced from PubChem (CID 70925452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).