10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C22H20N6 — CID 20898449

IUPAC10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccncc4)nc32)cc1C
InChIInChI=1S/C22H20N6/c1-13-5-6-18(11-14(13)2)28-16(4)15(3)19-21(28)24-12-27-22(19)25-20(26-27)17-7-9-23-10-8-17/h5-12H,1-4H3
InChIKeyIQDUZBNMUGFXSX-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.36
Rot. Bonds2

About 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898449) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898449
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccncc4)nc32)cc1C
InChIInChI=1S/C22H20N6/c1-13-5-6-18(11-14(13)2)28-16(4)15(3)19-21(28)24-12-27-22(19)25-20(26-27)17-7-9-23-10-8-17/h5-12H,1-4H3
InChIKeyIQDUZBNMUGFXSX-UHFFFAOYSA-N
XLogP4.36
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-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

10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898451
10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898435
4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898229
10-(2,3-dimethylphenyl)-11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898416
4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
CID 946996
10-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2009035
10-cyclohexyl-4-(4-methoxyphenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898519
10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898259
5-[10-(3,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]benzene-1,3-diol
CID 2016920
7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159231
10-(furan-2-ylmethyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898181
7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337078

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898449) is 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-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 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccncc4)nc32)cc1C.
What is the InChIKey of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is IQDUZBNMUGFXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-13-5-6-18(11-14(13)2)28-16(4)15(3)19-21(28)24-12-27-22(19)25-20(26-27)17-7-9-23-10-8-17/h5-12H,1-4H3.
What are the key properties of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 368.44 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20898449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).