3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one

C145H162N41O7S+ — CID 160826139

About 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one

3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 160826139) has the molecular formula C145H162N41O7S+ and a molecular weight of 2623.24 g/mol. Its IUPAC name is 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 160826139
• Molecular Formula: C145H162N41O7S+
• Molecular Weight: 2623.24 g/mol
• Exact Mass: 2621.33
• IUPAC Name: 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: CC1=CC2N=CC=C[N+]2=N1.CC1=Nc2cccnc2C1.Cc1cc(C)cc(C#N)c1.Cc1ccc2ccnn2c1.Cc1ccc2cncnc2c1.Cc1cn2ccccc2n1.Cc1cn2cccnc2n1.Cc1cn2ncccc2n1.Cc1cnc(C(C)C)nc1.Cc1cnc(CN)nc1.Cc1cnc(N(C)C)nc1.Cc1cnc2c(C(C)O)cnn2c1.Cc1cnc2c(C)cnn2c1.Cc1cnc2c(c1)C(=O)N(C)C2C.Cc1cnc2c(c1)C(=O)N(C)C2O.Cc1cnc2c(c1)C(=O)OC2(C)C.Cc1cnc2c(c1)S(=O)C=C2.Cc1cnc2ccnn2c1
• InChI: InChI=1S/C10H12N2O.C10H11NO2.C9H11N3O.C9H10N2O2.C9H8N2.C9H9N.C8H9N3.3C8H8N2.C8H12N2.C8H7NOS.2C7H7N3.C7H8N3.C7H7N3.C7H11N3.C6H9N3/c1-6-4-8-9(11-5-6)7(2)12(3)10(8)13;1-6-4-7-8(11-5-6)10(2,3)13-9(7)12;1-6-3-10-9-8(7(2)13)4-11-12(9)5-6;1-5-3-6-7(10-4-5)9(13)11(2)8(6)12;1-7-2-3-8-5-10-6-11-9(8)4-7;1-7-3-8(2)5-9(4-7)6-10;1-6-3-9-8-7(2)4-10-11(8)5-6;1-7-2-3-8-4-5-9-10(8)6-7;1-6-5-8-7(10-6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-6(2)8-9-4-7(3)5-10-8;1-6-4-8-7(9-5-6)2-3-11(8)10;1-6-4-8-7-2-3-9-10(7)5-6;1-6-5-10-4-2-3-8-7(10)9-6;1-6-5-7-8-3-2-4-10(7)9-6;1-6-5-10-7(9-6)3-2-4-8-10;1-6-4-8-7(9-5-6)10(2)3;1-5-3-8-6(2-7)9-4-5/h4-5,7H,1-3H3;4-5H,1-3H3;3-5,7,13H,1-2H3;3-4,9,13H,1-2H3;2-6H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,5H2,1H3;2-6H,1H3;4-6H,1-3H3;2-5H,1H3;2*2-5H,1H3;2-5,7H,1H3;2-5H,1H3;4-5H,1-3H3;3-4H,2,7H2,1H3/q;;;;;;;;;;;;;;+1
• InChIKey: DLOAAXPGUKDLRI-UHFFFAOYSA-N
• XLogP: 24.26
• TPSA: 570.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 4
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.24
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 160826139) is 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one is CC1=CC2N=CC=C[N+]2=N1.CC1=Nc2cccnc2C1.Cc1cc(C)cc(C#N)c1.Cc1ccc2ccnn2c1.Cc1ccc2cncnc2c1.Cc1cn2ccccc2n1.Cc1cn2cccnc2n1.Cc1cn2ncccc2n1.Cc1cnc(C(C)C)nc1.Cc1cnc(CN)nc1.Cc1cnc(N(C)C)nc1.Cc1cnc2c(C(C)O)cnn2c1.Cc1cnc2c(C)cnn2c1.Cc1cnc2c(c1)C(=O)N(C)C2C.Cc1cnc2c(c1)C(=O)N(C)C2O.Cc1cnc2c(c1)C(=O)OC2(C)C.Cc1cnc2c(c1)S(=O)C=C2.Cc1cnc2ccnn2c1.

What is the InChIKey of 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is DLOAAXPGUKDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C10H11NO2.C9H11N3O.C9H10N2O2.C9H8N2.C9H9N.C8H9N3.3C8H8N2.C8H12N2.C8H7NOS.2C7H7N3.C7H8N3.C7H7N3.C7H11N3.C6H9N3/c1-6-4-8-9(11-5-6)7(2)12(3)10(8)13;1-6-4-7-8(11-5-6)10(2,3)13-9(7)12;1-6-3-10-9-8(7(2)13)4-11-12(9)5-6;1-5-3-6-7(10-4-5)9(13)11(2)8(6)12;1-7-2-3-8-5-10-6-11-9(8)4-7;1-7-3-8(2)5-9(4-7)6-10;1-6-3-9-8-7(2)4-10-11(8)5-6;1-7-2-3-8-4-5-9-10(8)6-7;1-6-5-8-7(10-6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-6(2)8-9-4-7(3)5-10-8;1-6-4-8-7(9-5-6)2-3-11(8)10;1-6-4-8-7-2-3-9-10(7)5-6;1-6-5-10-4-2-3-8-7(10)9-6;1-6-5-7-8-3-2-4-10(7)9-6;1-6-5-10-7(9-6)3-2-4-8-10;1-6-4-8-7(9-5-6)10(2)3;1-5-3-8-6(2-7)9-4-5/h4-5,7H,1-3H3;4-5H,1-3H3;3-5,7,13H,1-2H3;3-4,9,13H,1-2H3;2-6H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,5H2,1H3;2-6H,1H3;4-6H,1-3H3;2-5H,1H3;2*2-5H,1H3;2-5,7H,1H3;2-5H,1H3;4-5H,1-3H3;3-4H,2,7H2,1H3/q;;;;;;;;;;;;;;+1;;;.

What are the key properties of 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?

3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2623.24 g/mol, XLogP of 24.26, 4 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 160826139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).