2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C23H25N5 — CID 59572837

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1cnc2c(c1)N=Nc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N5/c1-14-10-19-22(25-13-14)28(21-18(26-27-19)8-7-9-24-21)20-15(2)11-17(12-16(20)3)23(4,5)6/h7-13H,1-6H3
InChIKeyYYTLPAICVLWSNE-UHFFFAOYSA-N
MW371.49 g/mol
LogP6.90
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 59572837) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID59572837
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1cnc2c(c1)N=Nc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N5/c1-14-10-19-22(25-13-14)28(21-18(26-27-19)8-7-9-24-21)20-15(2)11-17(12-16(20)3)23(4,5)6/h7-13H,1-6H3
InChIKeyYYTLPAICVLWSNE-UHFFFAOYSA-N
XLogP6.90
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573057
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59573330
6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59572319
2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573258
11-(4-tert-butyl-2,6-dimethylphenyl)-3,8-dimethylbenzo[c][1,2,5]benzotriazepine
CID 59573100
2-(4-tert-butyl-2,6-dimethylphenyl)-13-methyl-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572237
2-(2,4,6-trimethylphenyl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide
CID 59573143
2-(2,4,6-trimethylphenyl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide
CID 59573479
18-(4-tert-butyl-2,6-dimethylphenyl)-4-methyl-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 59573627
2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine
CID 159316023
3-methyl-10-(2-methylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59573511
6-methyl-2-(2-methylphenyl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572302

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 59572837) is 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Cc1cnc2c(c1)N=Nc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is YYTLPAICVLWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-14-10-19-22(25-13-14)28(21-18(26-27-19)8-7-9-24-21)20-15(2)11-17(12-16(20)3)23(4,5)6/h7-13H,1-6H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 371.49 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 59572837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).