6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone

C68H81Cl4FN18O8S2 — CID 158468495

About 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 158468495) has the molecular formula C68H81Cl4FN18O8S2 and a molecular weight of 1503.46 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 158468495
• Molecular Formula: C68H81Cl4FN18O8S2
• Molecular Weight: 1503.46 g/mol
• Exact Mass: 1500.47
• IUPAC Name: 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.CN1CC2CN(c3cc(Cl)cc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(O)(c2cc(Cl)cc3[nH]ncc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
• InChI: InChI=1S/C16H20N4O.C14H16ClN5O.C13H15ClFN3O2S.C13H16ClN3O3S.C12H14ClN3O/c1-11(21)19-4-6-20(7-5-19)16-9-13(12-2-3-12)8-15-14(16)10-17-18-15;1-18-7-10-8-19(2-3-20(10)14(18)21)13-5-9(15)4-12-11(13)6-16-17-12;1-21(19,20)18-4-2-13(15,3-5-18)11-6-9(14)7-12-10(11)8-16-17-12;1-21(19,20)17-4-2-13(18,3-5-17)11-6-9(14)7-12-10(11)8-15-16-12;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16/h8-10,12H,2-7H2,1H3,(H,17,18);4-6,10H,2-3,7-8H2,1H3,(H,16,17);6-8H,2-5H2,1H3,(H,16,17);6-8,18H,2-5H2,1H3,(H,15,16);4-6,9,17H,1-3,7H2,(H,14,15)
• InChIKey: HGBDAUGZYQGKKG-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 312.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1503.46
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone (CID 158468495) is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.CN1CC2CN(c3cc(Cl)cc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(O)(c2cc(Cl)cc3[nH]ncc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.

What is the InChIKey of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

The InChIKey is HGBDAUGZYQGKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.C14H16ClN5O.C13H15ClFN3O2S.C13H16ClN3O3S.C12H14ClN3O/c1-11(21)19-4-6-20(7-5-19)16-9-13(12-2-3-12)8-15-14(16)10-17-18-15;1-18-7-10-8-19(2-3-20(10)14(18)21)13-5-9(15)4-12-11(13)6-16-17-12;1-21(19,20)18-4-2-13(15,3-5-18)11-6-9(14)7-12-10(11)8-16-17-12;1-21(19,20)17-4-2-13(18,3-5-17)11-6-9(14)7-12-10(11)8-15-16-12;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16/h8-10,12H,2-7H2,1H3,(H,17,18);4-6,10H,2-3,7-8H2,1H3,(H,16,17);6-8H,2-5H2,1H3,(H,16,17);6-8,18H,2-5H2,1H3,(H,15,16);4-6,9,17H,1-3,7H2,(H,14,15).

What are the key properties of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 1503.46 g/mol, XLogP of 9.95, 8 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 158468495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).