5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C19H13N7O — CID 66496651

IUPAC5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1Cc1ccccn1
InChIInChI=1S/C19H13N7O/c27-19-16-18(21-12-25(19)11-14-8-4-5-9-20-14)26-17(24-23-16)15(10-22-26)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyUODWCQYPAVOZAQ-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.94
Rot. Bonds3

About 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66496651) has the molecular formula C19H13N7O and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66496651
Molecular FormulaC19H13N7O
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1Cc1ccccn1
InChIInChI=1S/C19H13N7O/c27-19-16-18(21-12-25(19)11-14-8-4-5-9-20-14)26-17(24-23-16)15(10-22-26)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyUODWCQYPAVOZAQ-UHFFFAOYSA-N
XLogP1.94
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

5-(4-chlorophenyl)-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496873
4-(10-oxo-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)butanoic acid
CID 66496622
5-(4-chlorophenyl)-11-(2-hydroxyethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496839
5-(4-fluorophenyl)-11-[(4-methoxyphenyl)methyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496966
11-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496524
5-(4-chlorophenyl)-11-[2-(1H-indol-3-yl)ethyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496849
3-(3,4-dimethylphenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162124
5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine
CID 56763446
4-ethyl-5-phenyl-11-(pyridin-3-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496595
11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496937
11-[(4-methoxyphenyl)methyl]-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496542
2-[5-(4-chlorophenyl)-10-oxo-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]-3-sulfanylpropanoic acid
CID 66496841

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66496651) is 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1Cc1ccccn1.
What is the InChIKey of 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is UODWCQYPAVOZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O/c27-19-16-18(21-12-25(19)11-14-8-4-5-9-20-14)26-17(24-23-16)15(10-22-26)13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 355.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 66496651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).