1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione

C85H86N30O2 — CID 158555325

IUPAC1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione
SMILESCc1c[nH]c2ccccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cn2ccccc2n1.Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cn1cnc2c(N)ncnc21.Cn1cnc2ccccc21.Cn1nc2ccccc2n1.Cn1nnc2ccccc21.Cn1nnc2cccnc21
InChIInChI=1S/C10H9N.C9H8N2.C9H9N.C8H10N4O2.2C8H8N2.3C7H7N3.C6H7N5.C6H6N4/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-6-10-9-5-3-2-4-8(7)9;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-10-5-3-2-4-8(10)9-7;1-5-2-3-6-7(4-5)9-10-8-6;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-6-4-2-3-5-7(6)9-10;1-11-3-10-4-5(7)8-2-9-6(4)11;1-10-6-5(8-9-10)3-2-4-7-6/h2-7H,1H3;2-6H,1H3;2-6,10H,1H3;4H,1-3H3;2*2-6H,1H3;2-4H,1H3,(H,8,9,10);2*2-5H,1H3;2-3H,1H3,(H2,7,8,9);2-4H,1H3
InChIKeyHQFIMRBBURNMSQ-UHFFFAOYSA-N
MW1559.83 g/mol
LogP12.66
Rot. Bonds

About 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione

1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione (PubChem CID 158555325) has the molecular formula C85H86N30O2 and a molecular weight of 1559.83 g/mol. Its IUPAC name is 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Name1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione
PubChem CID158555325
Molecular FormulaC85H86N30O2
Molecular Weight1559.83 g/mol
Exact Mass1558.76
IUPAC Name1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione
SMILESCc1c[nH]c2ccccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cn2ccccc2n1.Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cn1cnc2c(N)ncnc21.Cn1cnc2ccccc21.Cn1nc2ccccc2n1.Cn1nnc2ccccc21.Cn1nnc2cccnc21
InChIInChI=1S/C10H9N.C9H8N2.C9H9N.C8H10N4O2.2C8H8N2.3C7H7N3.C6H7N5.C6H6N4/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-6-10-9-5-3-2-4-8(7)9;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-10-5-3-2-4-8(10)9-7;1-5-2-3-6-7(4-5)9-10-8-6;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-6-4-2-3-5-7(6)9-10;1-11-3-10-4-5(7)8-2-9-6(4)11;1-10-6-5(8-9-10)3-2-4-7-6/h2-7H,1H3;2-6H,1H3;2-6,10H,1H3;4H,1-3H3;2*2-6H,1H3;2-4H,1H3,(H,8,9,10);2*2-5H,1H3;2-3H,1H3,(H2,7,8,9);2-4H,1H3
InChIKeyHQFIMRBBURNMSQ-UHFFFAOYSA-N
XLogP12.66
TPSA367.61 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001559.83
LogP ≤ 512.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione 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

N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]anilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136631168
N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 145036562
N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 145650650
8-amino-5-[1-[[2-(dimethylcarbamoyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-1-ium-5-yl]-6-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 153617769
N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 154939096
N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(propanoylamino)-3-pyridinyl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 156156375
azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
CID 157162758
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 157192628
1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 157358624
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 157424870
2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 157447320
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(2,4-difluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(2-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-5-yl)piperazin-2-one;[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone
CID 157561571

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione (CID 158555325) is 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione is Cc1c[nH]c2ccccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cn2ccccc2n1.Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cn1cnc2c(N)ncnc21.Cn1cnc2ccccc21.Cn1nc2ccccc2n1.Cn1nnc2ccccc21.Cn1nnc2cccnc21.
What is the InChIKey of 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione?
The InChIKey is HQFIMRBBURNMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C9H8N2.C9H9N.C8H10N4O2.2C8H8N2.3C7H7N3.C6H7N5.C6H6N4/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-6-10-9-5-3-2-4-8(7)9;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-10-5-3-2-4-8(10)9-7;1-5-2-3-6-7(4-5)9-10-8-6;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-6-4-2-3-5-7(6)9-10;1-11-3-10-4-5(7)8-2-9-6(4)11;1-10-6-5(8-9-10)3-2-4-7-6/h2-7H,1H3;2-6H,1H3;2-6,10H,1H3;4H,1-3H3;2*2-6H,1H3;2-4H,1H3,(H,8,9,10);2*2-5H,1H3;2-3H,1H3,(H2,7,8,9);2-4H,1H3.
What are the key properties of 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione?
1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione has a molecular weight of 1559.83 g/mol, XLogP of 12.66, 0 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;1-methylbenzotriazole;2-methylbenzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;9-methylpurin-6-amine;6-methylquinoline;6-methylquinoxaline;3-methyltriazolo[4,5-b]pyridine;1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 158555325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).