(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol

C106H143Cl5F2N16O8 — CID 160937077

About (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol

(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol (PubChem CID 160937077) has the molecular formula C106H143Cl5F2N16O8 and a molecular weight of 1984.67 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol.

Molecular Properties

• Compound Name: (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol
• PubChem CID: 160937077
• Molecular Formula: C106H143Cl5F2N16O8
• Molecular Weight: 1984.67 g/mol
• Exact Mass: 1980.97
• IUPAC Name: (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol
• SMILES: C=C(CC#N)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC1CC1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC1CCOCC1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(COC)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(F)(F)CC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C24H34ClN3O2.C22H30ClN3O.C20H26ClF2N3O2.C20H25ClN4O.C20H28ClN3O2/c1-16(12-17-6-10-30-11-7-17)28-8-4-19(5-9-28)24(2,3)23(29)21-14-20(25)13-18-15-26-27-22(18)21;1-14(10-15-4-5-15)26-8-6-17(7-9-26)22(2,3)21(27)19-12-18(23)11-16-13-24-25-20(16)19;1-19(2,13-4-6-26(7-5-13)16(27)10-20(3,22)23)18(28)15-9-14(21)8-12-11-24-25-17(12)15;1-13(4-7-22)25-8-5-15(6-9-25)20(2,3)19(26)17-11-16(21)10-14-12-23-24-18(14)17;1-13(12-26-4)24-7-5-15(6-8-24)20(2,3)19(25)17-10-16(21)9-14-11-22-23-18(14)17/h13-15,17,19,23,29H,1,4-12H2,2-3H3,(H,26,27);11-13,15,17,21,27H,1,4-10H2,2-3H3,(H,24,25);8-9,11,13,18,28H,4-7,10H2,1-3H3,(H,24,25);10-12,15,19,26H,1,4-6,8-9H2,2-3H3,(H,23,24);9-11,15,19,25H,1,5-8,12H2,2-4H3,(H,22,23)/t23-;21-;18-;2*19-/m11111/s1
• InChIKey: SUABBOCEUAPDAG-FVVRIFDYSA-N
• XLogP: 23.74
• TPSA: 320.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.67
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol?

The IUPAC name of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol (CID 160937077) is (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol.

What is the SMILES notation for (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol?

The canonical SMILES for (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol is C=C(CC#N)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC1CC1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC1CCOCC1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(COC)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(F)(F)CC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol?

The InChIKey is SUABBOCEUAPDAG-FVVRIFDYSA-N. The full InChI is InChI=1S/C24H34ClN3O2.C22H30ClN3O.C20H26ClF2N3O2.C20H25ClN4O.C20H28ClN3O2/c1-16(12-17-6-10-30-11-7-17)28-8-4-19(5-9-28)24(2,3)23(29)21-14-20(25)13-18-15-26-27-22(18)21;1-14(10-15-4-5-15)26-8-6-17(7-9-26)22(2,3)21(27)19-12-18(23)11-16-13-24-25-20(16)19;1-19(2,13-4-6-26(7-5-13)16(27)10-20(3,22)23)18(28)15-9-14(21)8-12-11-24-25-17(12)15;1-13(4-7-22)25-8-5-15(6-9-25)20(2,3)19(26)17-11-16(21)10-14-12-23-24-18(14)17;1-13(12-26-4)24-7-5-15(6-8-24)20(2,3)19(25)17-10-16(21)9-14-11-22-23-18(14)17/h13-15,17,19,23,29H,1,4-12H2,2-3H3,(H,26,27);11-13,15,17,21,27H,1,4-10H2,2-3H3,(H,24,25);8-9,11,13,18,28H,4-7,10H2,1-3H3,(H,24,25);10-12,15,19,26H,1,4-6,8-9H2,2-3H3,(H,23,24);9-11,15,19,25H,1,5-8,12H2,2-4H3,(H,22,23)/t23-;21-;18-;2*19-/m11111/s1.

What are the key properties of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol?

(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol has a molecular weight of 1984.67 g/mol, XLogP of 23.74, 28 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 160937077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).