6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C98H135Cl5N18O14S — CID 158149456

About 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 158149456) has the molecular formula C98H135Cl5N18O14S and a molecular weight of 1998.60 g/mol. Its IUPAC name is 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
• PubChem CID: 158149456
• Molecular Formula: C98H135Cl5N18O14S
• Molecular Weight: 1998.60 g/mol
• Exact Mass: 1994.86
• IUPAC Name: 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
• SMILES: CC(C)(C1CCN(C(=O)CN2CCCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NOCC2CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCN(CC)CC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.O=S1(=O)CC2(CC(O)(c3cc(Cl)cc4cn[nH]c34)C2)C1
• InChI: InChI=1S/C22H31ClN4O2.C22H33ClN4O2.C21H29ClN4O3.C20H29ClN4O4.C13H13ClN2O3S/c1-22(2,21(29)18-12-17(23)11-15-13-24-25-20(15)18)16-5-9-27(10-6-16)19(28)14-26-7-3-4-8-26;1-5-26(6-2)14-19(28)27-9-7-16(8-10-27)22(3,4)21(29)18-12-17(23)11-15-13-24-25-20(15)18;1-21(2,19(27)17-10-16(22)9-14-11-23-24-18(14)17)15-5-7-26(8-6-15)20(28)25-29-12-13-3-4-13;1-20(2,18(26)16-11-15(21)10-13-12-22-23-17(13)16)14-4-6-25(7-5-14)19(27)24-29-9-8-28-3;14-9-1-8-3-15-16-11(8)10(2-9)13(17)4-12(5-13)6-20(18,19)7-12/h11-13,16,21,29H,3-10,14H2,1-2H3,(H,24,25);11-13,16,21,29H,5-10,14H2,1-4H3,(H,24,25);9-11,13,15,19,27H,3-8,12H2,1-2H3,(H,23,24)(H,25,28);10-12,14,18,26H,4-9H2,1-3H3,(H,22,23)(H,24,27);1-3,17H,4-7H2,(H,15,16)/t2*21-;19-;18-;/m1111./s1
• InChIKey: FUXOQDAPCCCYSE-RXSCMFENSA-N
• XLogP: 16.39
• TPSA: 418.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.60
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

The IUPAC name of 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 158149456) is 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

What is the SMILES notation for 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

The canonical SMILES for 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is CC(C)(C1CCN(C(=O)CN2CCCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NOCC2CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCN(CC)CC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.O=S1(=O)CC2(CC(O)(c3cc(Cl)cc4cn[nH]c34)C2)C1.

What is the InChIKey of 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

The InChIKey is FUXOQDAPCCCYSE-RXSCMFENSA-N. The full InChI is InChI=1S/C22H31ClN4O2.C22H33ClN4O2.C21H29ClN4O3.C20H29ClN4O4.C13H13ClN2O3S/c1-22(2,21(29)18-12-17(23)11-15-13-24-25-20(15)18)16-5-9-27(10-6-16)19(28)14-26-7-3-4-8-26;1-5-26(6-2)14-19(28)27-9-7-16(8-10-27)22(3,4)21(29)18-12-17(23)11-15-13-24-25-20(15)18;1-21(2,19(27)17-10-16(22)9-14-11-23-24-18(14)17)15-5-7-26(8-6-15)20(28)25-29-12-13-3-4-13;1-20(2,18(26)16-11-15(21)10-13-12-22-23-17(13)16)14-4-6-25(7-5-14)19(27)24-29-9-8-28-3;14-9-1-8-3-15-16-11(8)10(2-9)13(17)4-12(5-13)6-20(18,19)7-12/h11-13,16,21,29H,3-10,14H2,1-2H3,(H,24,25);11-13,16,21,29H,5-10,14H2,1-4H3,(H,24,25);9-11,13,15,19,27H,3-8,12H2,1-2H3,(H,23,24)(H,25,28);10-12,14,18,26H,4-9H2,1-3H3,(H,22,23)(H,24,27);1-3,17H,4-7H2,(H,15,16)/t2*21-;19-;18-;/m1111./s1.

What are the key properties of 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 1998.60 g/mol, XLogP of 16.39, 26 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-1H-indazol-7-yl)-2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclopropylmethoxy)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethoxy)piperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 158149456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).