4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide

C112H147Cl5F2N18O11S — CID 159495064

About 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide

4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide (PubChem CID 159495064) has the molecular formula C112H147Cl5F2N18O11S and a molecular weight of 2168.85 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide
• PubChem CID: 159495064
• Molecular Formula: C112H147Cl5F2N18O11S
• Molecular Weight: 2168.85 g/mol
• Exact Mass: 2164.96
• IUPAC Name: 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide
• SMILES: C#Cc1ccc(NC(=O)N2CCC(C(C)(C)[C@H](O)c3c(F)c(Cl)cc4cn[nH]c34)CC2)cc1.C=S1(=O)CCC(CC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C1CCN(C(=O)C2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)CN2CCCCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C25H26ClFN4O2.C24H34ClN3O3S.C23H33ClN4O2.C20H25ClFN3O2.C20H29ClN4O2/c1-4-15-5-7-18(8-6-15)29-24(33)31-11-9-17(10-12-31)25(2,3)23(32)20-21(27)19(26)13-16-14-28-30-22(16)20;1-24(2,23(30)20-14-19(25)13-17-15-26-27-22(17)20)18-4-8-28(9-5-18)21(29)12-16-6-10-32(3,31)11-7-16;1-23(2,22(30)19-13-18(24)12-16-14-25-26-21(16)19)17-6-10-28(11-7-17)20(29)15-27-8-4-3-5-9-27;1-20(2,13-5-7-25(8-6-13)19(27)11-3-4-11)18(26)15-16(22)14(21)9-12-10-23-24-17(12)15;1-4-7-22-19(27)25-8-5-14(6-9-25)20(2,3)18(26)16-11-15(21)10-13-12-23-24-17(13)16/h1,5-8,13-14,17,23,32H,9-12H2,2-3H3,(H,28,30)(H,29,33);13-16,18,23,30H,3-12H2,1-2H3,(H,26,27);12-14,17,22,30H,3-11,15H2,1-2H3,(H,25,26);9-11,13,18,26H,3-8H2,1-2H3,(H,23,24);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)/t23-;16?,23-,32?;22-;2*18-/m11111/s1
• InChIKey: LYRGTQCRXHDRFM-FEVJKLSQSA-N
• XLogP: 21.54
• TPSA: 390.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.85
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide?

The IUPAC name of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide (CID 159495064) is 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide?

The canonical SMILES for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide is C#Cc1ccc(NC(=O)N2CCC(C(C)(C)[C@H](O)c3c(F)c(Cl)cc4cn[nH]c34)CC2)cc1.C=S1(=O)CCC(CC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C1CCN(C(=O)C2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)CN2CCCCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide?

The InChIKey is LYRGTQCRXHDRFM-FEVJKLSQSA-N. The full InChI is InChI=1S/C25H26ClFN4O2.C24H34ClN3O3S.C23H33ClN4O2.C20H25ClFN3O2.C20H29ClN4O2/c1-4-15-5-7-18(8-6-15)29-24(33)31-11-9-17(10-12-31)25(2,3)23(32)20-21(27)19(26)13-16-14-28-30-22(16)20;1-24(2,23(30)20-14-19(25)13-17-15-26-27-22(17)20)18-4-8-28(9-5-18)21(29)12-16-6-10-32(3,31)11-7-16;1-23(2,22(30)19-13-18(24)12-16-14-25-26-21(16)19)17-6-10-28(11-7-17)20(29)15-27-8-4-3-5-9-27;1-20(2,13-5-7-25(8-6-13)19(27)11-3-4-11)18(26)15-16(22)14(21)9-12-10-23-24-17(12)15;1-4-7-22-19(27)25-8-5-14(6-9-25)20(2,3)18(26)16-11-15(21)10-13-12-23-24-17(13)16/h1,5-8,13-14,17,23,32H,9-12H2,2-3H3,(H,28,30)(H,29,33);13-16,18,23,30H,3-12H2,1-2H3,(H,26,27);12-14,17,22,30H,3-11,15H2,1-2H3,(H,25,26);9-11,13,18,26H,3-8H2,1-2H3,(H,23,24);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)/t23-;16?,23-,32?;22-;2*18-/m11111/s1.

What are the key properties of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide?

4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide has a molecular weight of 2168.85 g/mol, XLogP of 21.54, 23 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 159495064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).