1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole

C80H103Cl3N20O11S4 — CID 158653278

About 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole

1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole (PubChem CID 158653278) has the molecular formula C80H103Cl3N20O11S4 and a molecular weight of 1755.46 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

• Compound Name: 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole
• PubChem CID: 158653278
• Molecular Formula: C80H103Cl3N20O11S4
• Molecular Weight: 1755.46 g/mol
• Exact Mass: 1752.61
• IUPAC Name: 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole
• SMILES: CC(O)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CC1(C)CN(c2cc(N3CCCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CC1(C)CN(c2cc(N3CCOCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CCC2.CS(=O)(=O)c1ccc(Nc2cc(Cl)cc3[nH]ncc23)cc1
• InChI: InChI=1S/C18H27N5O3S.C18H27N5O2S.C15H19ClN4O2S.C15H18ClN3O2.C14H12ClN3O2S/c1-18(2)13-22(4-5-23(18)27(3,24)25)17-11-14(21-6-8-26-9-7-21)10-16-15(17)12-19-20-16;1-18(2)13-22(8-9-23(18)26(3,24)25)17-11-14(21-6-4-5-7-21)10-16-15(17)12-19-20-16;1-23(21,22)20-6-5-19(10-15(20)3-2-4-15)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)15(21)19-4-2-10(3-5-19)12-6-11(16)7-14-13(12)8-17-18-14;1-21(19,20)11-4-2-10(3-5-11)17-13-6-9(15)7-14-12(13)8-16-18-14/h10-12H,4-9,13H2,1-3H3,(H,19,20);10-12H,4-9,13H2,1-3H3,(H,19,20);7-9H,2-6,10H2,1H3,(H,17,18);6-10,20H,2-5H2,1H3,(H,17,18);2-8,17H,1H3,(H,16,18)
• InChIKey: IBUXHVYPUPPCCX-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 367.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1755.46
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole?

The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole (CID 158653278) is 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole.

What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole?

The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole is CC(O)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CC1(C)CN(c2cc(N3CCCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CC1(C)CN(c2cc(N3CCOCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CCC2.CS(=O)(=O)c1ccc(Nc2cc(Cl)cc3[nH]ncc23)cc1.

What is the InChIKey of 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole?

The InChIKey is IBUXHVYPUPPCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S.C18H27N5O2S.C15H19ClN4O2S.C15H18ClN3O2.C14H12ClN3O2S/c1-18(2)13-22(4-5-23(18)27(3,24)25)17-11-14(21-6-8-26-9-7-21)10-16-15(17)12-19-20-16;1-18(2)13-22(8-9-23(18)26(3,24)25)17-11-14(21-6-4-5-7-21)10-16-15(17)12-19-20-16;1-23(21,22)20-6-5-19(10-15(20)3-2-4-15)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)15(21)19-4-2-10(3-5-19)12-6-11(16)7-14-13(12)8-17-18-14;1-21(19,20)11-4-2-10(3-5-11)17-13-6-9(15)7-14-12(13)8-16-18-14/h10-12H,4-9,13H2,1-3H3,(H,19,20);10-12H,4-9,13H2,1-3H3,(H,19,20);7-9H,2-6,10H2,1H3,(H,17,18);6-10,20H,2-5H2,1H3,(H,17,18);2-8,17H,1H3,(H,16,18).

What are the key properties of 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole?

1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole has a molecular weight of 1755.46 g/mol, XLogP of 11.17, 13 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 158653278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).