tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole

C115H162N28O5 — CID 160651829

About tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole

tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole (PubChem CID 160651829) has the molecular formula C115H162N28O5 and a molecular weight of 2016.75 g/mol. Its IUPAC name is tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole.

Molecular Properties

• Compound Name: tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole
• PubChem CID: 160651829
• Molecular Formula: C115H162N28O5
• Molecular Weight: 2016.75 g/mol
• Exact Mass: 2015.33
• IUPAC Name: tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole
• SMILES: CC(C)N1CCN(C(=O)OC(C)(C)C)C(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C(C)C)C(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C)C(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C)C(c2ccc3c(cnn3C)c2)C1=O.CC(C)N1CCNC(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCNC(c2ccc3c(cnn3C)c2)C1=O.CC(C)n1ccnc(-c2ccc3c(cnn3C)c2)c1=O
• InChI: InChI=1S/C20H30N4O2.C18H28N4.C16H22N4O.C16H24N4.C15H20N4O.C15H16N4O.C15H22N4/c1-14(2)23-9-10-24(19(25)26-20(3,4)5)18(13-23)15-7-8-17-16(11-15)12-21-22(17)6;1-13(2)21-8-9-22(14(3)4)18(12-21)15-6-7-17-16(10-15)11-19-20(17)5;1-11(2)20-8-7-18(3)15(16(20)21)12-5-6-14-13(9-12)10-17-19(14)4;1-12(2)20-8-7-18(3)16(11-20)13-5-6-15-14(9-13)10-17-19(15)4;2*1-10(2)19-7-6-16-14(15(19)20)11-4-5-13-12(8-11)9-17-18(13)3;1-11(2)19-7-6-16-14(10-19)12-4-5-15-13(8-12)9-17-18(15)3/h7-8,11-12,14,18H,9-10,13H2,1-6H3;6-7,10-11,13-14,18H,8-9,12H2,1-5H3;5-6,9-11,15H,7-8H2,1-4H3;5-6,9-10,12,16H,7-8,11H2,1-4H3;4-5,8-10,14,16H,6-7H2,1-3H3;4-10H,1-3H3;4-5,8-9,11,14,16H,6-7,10H2,1-3H3
• InChIKey: RKNIMKQAIUZZMW-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 276.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.75
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole?

The IUPAC name of tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole (CID 160651829) is tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole.

What is the SMILES notation for tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole?

The canonical SMILES for tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole is CC(C)N1CCN(C(=O)OC(C)(C)C)C(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C(C)C)C(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C)C(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCN(C)C(c2ccc3c(cnn3C)c2)C1=O.CC(C)N1CCNC(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCNC(c2ccc3c(cnn3C)c2)C1=O.CC(C)n1ccnc(-c2ccc3c(cnn3C)c2)c1=O.

What is the InChIKey of tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole?

The InChIKey is RKNIMKQAIUZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.C18H28N4.C16H22N4O.C16H24N4.C15H20N4O.C15H16N4O.C15H22N4/c1-14(2)23-9-10-24(19(25)26-20(3,4)5)18(13-23)15-7-8-17-16(11-15)12-21-22(17)6;1-13(2)21-8-9-22(14(3)4)18(12-21)15-6-7-17-16(10-15)11-19-20(17)5;1-11(2)20-8-7-18(3)15(16(20)21)12-5-6-14-13(9-12)10-17-19(14)4;1-12(2)20-8-7-18(3)16(11-20)13-5-6-15-14(9-13)10-17-19(15)4;2*1-10(2)19-7-6-16-14(15(19)20)11-4-5-13-12(8-11)9-17-18(13)3;1-11(2)19-7-6-16-14(10-19)12-4-5-15-13(8-12)9-17-18(15)3/h7-8,11-12,14,18H,9-10,13H2,1-6H3;6-7,10-11,13-14,18H,8-9,12H2,1-5H3;5-6,9-11,15H,7-8H2,1-4H3;5-6,9-10,12,16H,7-8,11H2,1-4H3;4-5,8-10,14,16H,6-7H2,1-3H3;4-10H,1-3H3;4-5,8-9,11,14,16H,6-7,10H2,1-3H3.

What are the key properties of tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole?

tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole has a molecular weight of 2016.75 g/mol, XLogP of 16.45, 15 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(1-methylindazol-5-yl)-4-propan-2-ylpiperazine-1-carboxylate;5-[1,4-di(propan-2-yl)piperazin-2-yl]-1-methylindazole;3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyrazin-2-one;4-methyl-3-(1-methylindazol-5-yl)-1-propan-2-ylpiperazin-2-one;1-methyl-5-(1-methyl-4-propan-2-ylpiperazin-2-yl)indazole;1-methyl-5-(4-propan-2-ylpiperazin-2-yl)indazole is sourced from PubChem (CID 160651829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).