1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol

C93H113Cl4F3N16O6 — CID 160976800

About 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol

1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol (PubChem CID 160976800) has the molecular formula C93H113Cl4F3N16O6 and a molecular weight of 1749.84 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol
• PubChem CID: 160976800
• Molecular Formula: C93H113Cl4F3N16O6
• Molecular Weight: 1749.84 g/mol
• Exact Mass: 1746.77
• IUPAC Name: 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol
• SMILES: C=C(c1ccc(C(F)(F)F)nc1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(c1ccc(N2CCOCC2)nc1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(c1cccnc1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C27H34ClN5O2.C24H26ClF3N4O.C23H27ClN4O.C19H26ClN3O2/c1-18(19-4-5-24(29-16-19)33-10-12-35-13-11-33)32-8-6-21(7-9-32)27(2,3)26(34)23-15-22(28)14-20-17-30-31-25(20)23;1-14(15-4-5-20(29-12-15)24(26,27)28)32-8-6-17(7-9-32)23(2,3)22(33)19-11-18(25)10-16-13-30-31-21(16)19;1-15(16-5-4-8-25-13-16)28-9-6-18(7-10-28)23(2,3)22(29)20-12-19(24)11-17-14-26-27-21(17)20;1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15/h4-5,14-17,21,26,34H,1,6-13H2,2-3H3,(H,30,31);4-5,10-13,17,22,33H,1,6-9H2,2-3H3,(H,30,31);4-5,8,11-14,18,22,29H,1,6-7,9-10H2,2-3H3,(H,26,27);9-11,13,18,25H,4-8H2,1-3H3,(H,21,22)/t26-;2*22-;18-/m1111/s1
• InChIKey: SYZCFBXAJXEJHN-YPGIKUQISA-N
• XLogP: 19.94
• TPSA: 276.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1749.84
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol?

The IUPAC name of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol (CID 160976800) is 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol.

What is the SMILES notation for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol?

The canonical SMILES for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol is C=C(c1ccc(C(F)(F)F)nc1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(c1ccc(N2CCOCC2)nc1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(c1cccnc1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol?

The InChIKey is SYZCFBXAJXEJHN-YPGIKUQISA-N. The full InChI is InChI=1S/C27H34ClN5O2.C24H26ClF3N4O.C23H27ClN4O.C19H26ClN3O2/c1-18(19-4-5-24(29-16-19)33-10-12-35-13-11-33)32-8-6-21(7-9-32)27(2,3)26(34)23-15-22(28)14-20-17-30-31-25(20)23;1-14(15-4-5-20(29-12-15)24(26,27)28)32-8-6-17(7-9-32)23(2,3)22(33)19-11-18(25)10-16-13-30-31-21(16)19;1-15(16-5-4-8-25-13-16)28-9-6-18(7-10-28)23(2,3)22(29)20-12-19(24)11-17-14-26-27-21(17)20;1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15/h4-5,14-17,21,26,34H,1,6-13H2,2-3H3,(H,30,31);4-5,10-13,17,22,33H,1,6-9H2,2-3H3,(H,30,31);4-5,8,11-14,18,22,29H,1,6-7,9-10H2,2-3H3,(H,26,27);9-11,13,18,25H,4-8H2,1-3H3,(H,21,22)/t26-;2*22-;18-/m1111/s1.

What are the key properties of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol?

1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol has a molecular weight of 1749.84 g/mol, XLogP of 19.94, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(6-morpholin-4-yl-3-pyridinyl)ethenyl]piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-(1-pyridin-3-ylethenyl)piperidin-4-yl]propan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 160976800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).