5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

C25H24N6O — CID 136635510

IUPAC5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
SMILESO=C1CCNc2c1c(N1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21
InChIInChI=1S/C25H24N6O/c32-21-11-12-26-24-22(21)25(30-13-5-2-6-14-30)29-23-19(16-28-31(23)24)18-9-10-20(27-15-18)17-7-3-1-4-8-17/h1,3-4,7-10,15-16,26H,2,5-6,11-14H2
InChIKeySFZHJMUQTOKVEJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.45
Rot. Bonds3

About 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (PubChem CID 136635510) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.

Molecular Properties

Compound Name5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
PubChem CID136635510
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
SMILESO=C1CCNc2c1c(N1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21
InChIInChI=1S/C25H24N6O/c32-21-11-12-26-24-22(21)25(30-13-5-2-6-14-30)29-23-19(16-28-31(23)24)18-9-10-20(27-15-18)17-7-3-1-4-8-17/h1,3-4,7-10,15-16,26H,2,5-6,11-14H2
InChIKeySFZHJMUQTOKVEJ-UHFFFAOYSA-N
XLogP4.45
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
The IUPAC name of 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (CID 136635510) is 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.
What is the SMILES notation for 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
The canonical SMILES for 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is O=C1CCNc2c1c(N1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.
What is the InChIKey of 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
The InChIKey is SFZHJMUQTOKVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-21-11-12-26-24-22(21)25(30-13-5-2-6-14-30)29-23-19(16-28-31(23)24)18-9-10-20(27-15-18)17-7-3-1-4-8-17/h1,3-4,7-10,15-16,26H,2,5-6,11-14H2.
What are the key properties of 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one has a molecular weight of 424.51 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is sourced from PubChem (CID 136635510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).