11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

C24H21N5O2 — CID 11849942

IUPAC11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCOc1cccc(Cn2nc(C)c3c(nc(C)n4nc(-c5ccccc5)cc34)c2=O)c1
InChIInChI=1S/C24H21N5O2/c1-15-22-21-13-20(18-9-5-4-6-10-18)27-29(21)16(2)25-23(22)24(30)28(26-15)14-17-8-7-11-19(12-17)31-3/h4-13H,14H2,1-3H3
InChIKeyDMBDPWSLQQLBSM-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.78
Rot. Bonds4

About 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (PubChem CID 11849942) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
PubChem CID11849942
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCOc1cccc(Cn2nc(C)c3c(nc(C)n4nc(-c5ccccc5)cc34)c2=O)c1
InChIInChI=1S/C24H21N5O2/c1-15-22-21-13-20(18-9-5-4-6-10-18)27-29(21)16(2)25-23(22)24(30)28(26-15)14-17-8-7-11-19(12-17)31-3/h4-13H,14H2,1-3H3
InChIKeyDMBDPWSLQQLBSM-UHFFFAOYSA-N
XLogP3.78
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one with MolForge

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Related Compounds

N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
2-[5,7-dimethyl-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731294
2-[5,7-dimethyl-2-[4-(2-phenylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731301
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 127048799
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
11-(4-methoxyphenyl)-7,9-dimethylpyrimido[4',5':3,4]pyrrolo[2,1-c][1,2,4]benzotriazine-8,10(7H,9H)-dione
CID 1204923
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1244790
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidin-1-yl)methanone
CID 2872139
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](4-methylpiperidino)methanone
CID 4422418
5-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57396778
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
CID 162653907

Frequently Asked Questions

What is the IUPAC name of 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The IUPAC name of 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (CID 11849942) is 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.
What is the SMILES notation for 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The canonical SMILES for 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is COc1cccc(Cn2nc(C)c3c(nc(C)n4nc(-c5ccccc5)cc34)c2=O)c1.
What is the InChIKey of 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The InChIKey is DMBDPWSLQQLBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-22-21-13-20(18-9-5-4-6-10-18)27-29(21)16(2)25-23(22)24(30)28(26-15)14-17-8-7-11-19(12-17)31-3/h4-13H,14H2,1-3H3.
What are the key properties of 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one has a molecular weight of 411.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3-methoxyphenyl)methyl]-7,13-dimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is sourced from PubChem (CID 11849942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).