3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole

C113H111N20+5 — CID 157351946

About 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole

3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole (PubChem CID 157351946) has the molecular formula C113H111N20+5 and a molecular weight of 1749.27 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole.

Molecular Properties

• Compound Name: 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole
• PubChem CID: 157351946
• Molecular Formula: C113H111N20+5
• Molecular Weight: 1749.27 g/mol
• Exact Mass: 1747.93
• IUPAC Name: 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole
• SMILES: Cc1c(-c2c3ccccc3nn2C)cc(C(C)(C)C)cc1-[n+]1cccnc1C.Cc1c(-c2c3ccccc3nn2C)cc2ccccc2c1-[n+]1ccccc1C.Cc1cc(-c2c3ccccc3nn2C)c(C)c(-[n+]2cccnc2C)c1.Cc1cc(C)c(-[n+]2cccnc2C)c(C)c1-c1c2ccccc2nn1C.[C-]#[N+]c1cc(-c2c3ccccc3nn2C)c(C)c(-[n+]2cccnc2C)c1
• InChI: InChI=1S/C25H22N3.C24H27N4.C22H23N4.C21H18N5.C21H21N4/c1-17-10-8-9-15-28(17)24-18(2)22(16-19-11-4-5-12-20(19)24)25-21-13-6-7-14-23(21)26-27(25)3;1-16-20(23-19-10-7-8-11-21(19)26-27(23)6)14-18(24(3,4)5)15-22(16)28-13-9-12-25-17(28)2;1-14-13-15(2)21(26-12-8-11-23-17(26)4)16(3)20(14)22-18-9-6-7-10-19(18)24-25(22)5;1-14-18(21-17-8-5-6-9-19(17)24-25(21)4)12-16(22-3)13-20(14)26-11-7-10-23-15(26)2;1-14-12-18(21-17-8-5-6-9-19(17)23-24(21)4)15(2)20(13-14)25-11-7-10-22-16(25)3/h4-16H,1-3H3;7-15H,1-6H3;6-13H,1-5H3;5-13H,1-2,4H3;5-13H,1-4H3/q5*+1
• InChIKey: SEMQRUMIJWZWDL-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 164.42 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.27
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole?

The IUPAC name of 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole (CID 157351946) is 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole.

What is the SMILES notation for 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole?

The canonical SMILES for 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole is Cc1c(-c2c3ccccc3nn2C)cc(C(C)(C)C)cc1-[n+]1cccnc1C.Cc1c(-c2c3ccccc3nn2C)cc2ccccc2c1-[n+]1ccccc1C.Cc1cc(-c2c3ccccc3nn2C)c(C)c(-[n+]2cccnc2C)c1.Cc1cc(C)c(-[n+]2cccnc2C)c(C)c1-c1c2ccccc2nn1C.[C-]#[N+]c1cc(-c2c3ccccc3nn2C)c(C)c(-[n+]2cccnc2C)c1.

What is the InChIKey of 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole?

The InChIKey is SEMQRUMIJWZWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N3.C24H27N4.C22H23N4.C21H18N5.C21H21N4/c1-17-10-8-9-15-28(17)24-18(2)22(16-19-11-4-5-12-20(19)24)25-21-13-6-7-14-23(21)26-27(25)3;1-16-20(23-19-10-7-8-11-21(19)26-27(23)6)14-18(24(3,4)5)15-22(16)28-13-9-12-25-17(28)2;1-14-13-15(2)21(26-12-8-11-23-17(26)4)16(3)20(14)22-18-9-6-7-10-19(18)24-25(22)5;1-14-18(21-17-8-5-6-9-19(17)24-25(21)4)12-16(22-3)13-20(14)26-11-7-10-23-15(26)2;1-14-12-18(21-17-8-5-6-9-19(17)23-24(21)4)15(2)20(13-14)25-11-7-10-22-16(25)3/h4-16H,1-3H3;7-15H,1-6H3;6-13H,1-5H3;5-13H,1-2,4H3;5-13H,1-4H3/q5*+1.

What are the key properties of 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole?

3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole has a molecular weight of 1749.27 g/mol, XLogP of 22.18, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-tert-butyl-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyrimidin-1-ium-1-yl)phenyl]indazole is sourced from PubChem (CID 157351946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).