6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one

C22H19N5O2 — CID 46962800

IUPAC6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one
SMILESCc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccncc1)C(=O)O3
InChIInChI=1S/C22H19N5O2/c1-15-19-13-17-14-26(12-9-16-7-10-23-11-8-16)22(28)29-21(17)24-20(19)27(25-15)18-5-3-2-4-6-18/h2-8,10-11,13H,9,12,14H2,1H3
InChIKeyUNBYSVOAEUOKOP-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.68
Rot. Bonds4

About 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one

6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one (PubChem CID 46962800) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one
PubChem CID46962800
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one
SMILESCc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccncc1)C(=O)O3
InChIInChI=1S/C22H19N5O2/c1-15-19-13-17-14-26(12-9-16-7-10-23-11-8-16)22(28)29-21(17)24-20(19)27(25-15)18-5-3-2-4-6-18/h2-8,10-11,13H,9,12,14H2,1H3
InChIKeyUNBYSVOAEUOKOP-UHFFFAOYSA-N
XLogP3.68
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-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 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one?
The IUPAC name of 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one (CID 46962800) is 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one.
What is the SMILES notation for 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one?
The canonical SMILES for 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one is Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccncc1)C(=O)O3.
What is the InChIKey of 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one?
The InChIKey is UNBYSVOAEUOKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-19-13-17-14-26(12-9-16-7-10-23-11-8-16)22(28)29-21(17)24-20(19)27(25-15)18-5-3-2-4-6-18/h2-8,10-11,13H,9,12,14H2,1H3.
What are the key properties of 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one?
6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one has a molecular weight of 385.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one is sourced from PubChem (CID 46962800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).