tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine

C57H62ClF4N11O3 — CID 159146153

About tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine

tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine (PubChem CID 159146153) has the molecular formula C57H62ClF4N11O3 and a molecular weight of 1060.64 g/mol. Its IUPAC name is tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine
• PubChem CID: 159146153
• Molecular Formula: C57H62ClF4N11O3
• Molecular Weight: 1060.64 g/mol
• Exact Mass: 1059.47
• IUPAC Name: tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine
• SMILES: CN(c1cncc(C2=NCc3ccc(-c4c(F)cccc4F)cc32)n1)C1CCNCC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.Fc1cccc(F)c1-c1ccc2c(c1)c(-c1cncc(Cl)n1)nn2C1CCCCO1
• InChI: InChI=1S/C24H23F2N5.C22H17ClF2N4O.C11H22N2O2/c1-31(17-7-9-27-10-8-17)22-14-28-13-21(30-22)24-18-11-15(5-6-16(18)12-29-24)23-19(25)3-2-4-20(23)26;23-19-12-26-11-17(27-19)22-14-10-13(21-15(24)4-3-5-16(21)25)7-8-18(14)29(28-22)20-6-1-2-9-30-20;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13/h2-6,11,13-14,17,27H,7-10,12H2,1H3;3-5,7-8,10-12,20H,1-2,6,9H2;9,12H,5-8H2,1-4H3
• InChIKey: KIRYPRLTPKOPNQ-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 147.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.64
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine?

The IUPAC name of tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine (CID 159146153) is tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine.

What is the SMILES notation for tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine?

The canonical SMILES for tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine is CN(c1cncc(C2=NCc3ccc(-c4c(F)cccc4F)cc32)n1)C1CCNCC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.Fc1cccc(F)c1-c1ccc2c(c1)c(-c1cncc(Cl)n1)nn2C1CCCCO1.

What is the InChIKey of tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine?

The InChIKey is KIRYPRLTPKOPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5.C22H17ClF2N4O.C11H22N2O2/c1-31(17-7-9-27-10-8-17)22-14-28-13-21(30-22)24-18-11-15(5-6-16(18)12-29-24)23-19(25)3-2-4-20(23)26;23-19-12-26-11-17(27-19)22-14-10-13(21-15(24)4-3-5-16(21)25)7-8-18(14)29(28-22)20-6-1-2-9-30-20;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13/h2-6,11,13-14,17,27H,7-10,12H2,1H3;3-5,7-8,10-12,20H,1-2,6,9H2;9,12H,5-8H2,1-4H3.

What are the key properties of tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine?

tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine has a molecular weight of 1060.64 g/mol, XLogP of 11.36, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(methylamino)piperidine-1-carboxylate;3-(6-chloropyrazin-2-yl)-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]-N-methyl-N-piperidin-4-ylpyrazin-2-amine is sourced from PubChem (CID 159146153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).