3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole

C129H173F3N31+ — CID 159981040

About 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole

3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole (PubChem CID 159981040) has the molecular formula C129H173F3N31+ and a molecular weight of 2215.01 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole.

Molecular Properties

• Compound Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole
• PubChem CID: 159981040
• Molecular Formula: C129H173F3N31+
• Molecular Weight: 2215.01 g/mol
• Exact Mass: 2213.44
• IUPAC Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole
• SMILES: CC(C)N1CCN(C)[C@@H](c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C)[C@H](c2ccc3c(cnn3C)c2)C1.CC(C)c1ccc2c(c1)c(-c1cncnc1)nn2C.CC(C)c1ccc2c(c1)c(N1CCN(C(C)C(F)(F)F)CC1)nn2C.CC(C)c1ccc2c(c1)c(N1CC[N+](C)(C)CC1)nn2C.CC(C)c1ccc2c(n1)c(-c1cccnc1)nn2C.CC(C)c1ccc2c(n1)c(N1CCN(C)CC1)nn2C.CC1=CCc2ncc(-c3cc(C(C)C)ccn3)cc21
• InChI: InChI=1S/C18H25F3N4.C17H27N4.C17H18N2.2C16H24N4.C15H23N5.2C15H16N4/c1-12(2)14-5-6-16-15(11-14)17(22-23(16)4)25-9-7-24(8-10-25)13(3)18(19,20)21;1-13(2)14-6-7-16-15(12-14)17(18-19(16)3)20-8-10-21(4,5)11-9-20;1-11(2)13-6-7-18-17(9-13)14-8-15-12(3)4-5-16(15)19-10-14;2*1-12(2)20-8-7-18(3)16(11-20)13-5-6-15-14(9-13)10-17-19(15)4;1-11(2)12-5-6-13-14(16-12)15(17-19(13)4)20-9-7-18(3)8-10-20;1-10(2)11-4-5-14-13(6-11)15(18-19(14)3)12-7-16-9-17-8-12;1-10(2)12-6-7-13-15(17-12)14(18-19(13)3)11-5-4-8-16-9-11/h5-6,11-13H,7-10H2,1-4H3;6-7,12-13H,8-11H2,1-5H3;4,6-11H,5H2,1-3H3;2*5-6,9-10,12,16H,7-8,11H2,1-4H3;5-6,11H,7-10H2,1-4H3;2*4-10H,1-3H3/q;+1;;;;;;/t;;;2*16-;;;/m...10.../s1
• InChIKey: OFTUERHBBCKSNH-ZYRIDPQQSA-N
• XLogP: 23.28
• TPSA: 244.13 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2215.01
LogP ≤ 5	23.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole?

The IUPAC name of 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole (CID 159981040) is 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole.

What is the SMILES notation for 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole?

The canonical SMILES for 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole is CC(C)N1CCN(C)[C@@H](c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C)[C@H](c2ccc3c(cnn3C)c2)C1.CC(C)c1ccc2c(c1)c(-c1cncnc1)nn2C.CC(C)c1ccc2c(c1)c(N1CCN(C(C)C(F)(F)F)CC1)nn2C.CC(C)c1ccc2c(c1)c(N1CC[N+](C)(C)CC1)nn2C.CC(C)c1ccc2c(n1)c(-c1cccnc1)nn2C.CC(C)c1ccc2c(n1)c(N1CCN(C)CC1)nn2C.CC1=CCc2ncc(-c3cc(C(C)C)ccn3)cc21.

What is the InChIKey of 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole?

The InChIKey is OFTUERHBBCKSNH-ZYRIDPQQSA-N. The full InChI is InChI=1S/C18H25F3N4.C17H27N4.C17H18N2.2C16H24N4.C15H23N5.2C15H16N4/c1-12(2)14-5-6-16-15(11-14)17(22-23(16)4)25-9-7-24(8-10-25)13(3)18(19,20)21;1-13(2)14-6-7-16-15(12-14)17(18-19(16)3)20-8-10-21(4,5)11-9-20;1-11(2)13-6-7-18-17(9-13)14-8-15-12(3)4-5-16(15)19-10-14;2*1-12(2)20-8-7-18(3)16(11-20)13-5-6-15-14(9-13)10-17-19(15)4;1-11(2)12-5-6-13-14(16-12)15(17-19(13)4)20-9-7-18(3)8-10-20;1-10(2)11-4-5-14-13(6-11)15(18-19(14)3)12-7-16-9-17-8-12;1-10(2)12-6-7-13-15(17-12)14(18-19(13)3)11-5-4-8-16-9-11/h5-6,11-13H,7-10H2,1-4H3;6-7,12-13H,8-11H2,1-5H3;4,6-11H,5H2,1-3H3;2*5-6,9-10,12,16H,7-8,11H2,1-4H3;5-6,11H,7-10H2,1-4H3;2*4-10H,1-3H3/q;+1;;;;;;/t;;;2*16-;;;/m...10.../s1.

What are the key properties of 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole?

3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole has a molecular weight of 2215.01 g/mol, XLogP of 23.28, 17 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole is sourced from PubChem (CID 159981040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).