12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C20H15N5O — CID 2755490

IUPAC12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(-c2cn(-c3ccccc3)c3ncn4ncnc4c23)cc1
InChIInChI=1S/C20H15N5O/c1-26-16-9-7-14(8-10-16)17-11-24(15-5-3-2-4-6-15)19-18(17)20-21-12-23-25(20)13-22-19/h2-13H,1H3
InChIKeyRSKSDVRYTBYQKX-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.74
Rot. Bonds3

About 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 2755490) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID2755490
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(-c2cn(-c3ccccc3)c3ncn4ncnc4c23)cc1
InChIInChI=1S/C20H15N5O/c1-26-16-9-7-14(8-10-16)17-11-24(15-5-3-2-4-6-15)19-18(17)20-21-12-23-25(20)13-22-19/h2-13H,1H3
InChIKeyRSKSDVRYTBYQKX-UHFFFAOYSA-N
XLogP3.74
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 166138070
N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4053205
[5-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine
CID 10761360
N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3563626
4-(4-ethylpiperazin-1-yl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3521644
4-[4-(3-chlorophenyl)piperazin-1-yl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 5214975
1-[4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 16646678
2-[2-[[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 4207963
ethyl 4-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 5093182
(E)-1-[4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 16646691
7-(4-ethoxyphenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4080784

Frequently Asked Questions

What is the IUPAC name of 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 2755490) is 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is COc1ccc(-c2cn(-c3ccccc3)c3ncn4ncnc4c23)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is RSKSDVRYTBYQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-26-16-9-7-14(8-10-16)17-11-24(15-5-3-2-4-6-15)19-18(17)20-21-12-23-25(20)13-22-19/h2-13H,1H3.
What are the key properties of 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 341.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 2755490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).