12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione

C24H12N2O2 — CID 2313657

IUPAC12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
SMILESO=c1c2ccccc2c2nc3c(c(-c4cccnc4)c12)c(=O)c1ccccc13
InChIInChI=1S/C24H12N2O2/c27-23-16-9-3-1-7-14(16)21-19(23)18(13-6-5-11-25-12-13)20-22(26-21)15-8-2-4-10-17(15)24(20)28/h1-12H
InChIKeyVSTKKRINDHHMKA-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.35
Rot. Bonds1

About 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione

12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione (PubChem CID 2313657) has the molecular formula C24H12N2O2 and a molecular weight of 360.37 g/mol. Its IUPAC name is 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione.

Molecular Properties

Compound Name12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
PubChem CID2313657
Molecular FormulaC24H12N2O2
Molecular Weight360.37 g/mol
Exact Mass360.09
IUPAC Name12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
SMILESO=c1c2ccccc2c2nc3c(c(-c4cccnc4)c12)c(=O)c1ccccc13
InChIInChI=1S/C24H12N2O2/c27-23-16-9-3-1-7-14(16)21-19(23)18(13-6-5-11-25-12-13)20-22(26-21)15-8-2-4-10-17(15)24(20)28/h1-12H
InChIKeyVSTKKRINDHHMKA-UHFFFAOYSA-N
XLogP4.35
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
The IUPAC name of 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione (CID 2313657) is 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione.
What is the SMILES notation for 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
The canonical SMILES for 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione is O=c1c2ccccc2c2nc3c(c(-c4cccnc4)c12)c(=O)c1ccccc13.
What is the InChIKey of 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
The InChIKey is VSTKKRINDHHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N2O2/c27-23-16-9-3-1-7-14(16)21-19(23)18(13-6-5-11-25-12-13)20-22(26-21)15-8-2-4-10-17(15)24(20)28/h1-12H.
What are the key properties of 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione has a molecular weight of 360.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione is sourced from PubChem (CID 2313657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).