1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide

C93H116Cl4F2N18O8 — CID 159334350

About 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide

1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 159334350) has the molecular formula C93H116Cl4F2N18O8 and a molecular weight of 1793.88 g/mol. Its IUPAC name is 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
• PubChem CID: 159334350
• Molecular Formula: C93H116Cl4F2N18O8
• Molecular Weight: 1793.88 g/mol
• Exact Mass: 1790.79
• IUPAC Name: 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
• SMILES: CC(C)(C1CCN(C(=O)NCc2ccccn2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.C[C@@H](NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1)c1ccccn1.C[C@H](NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1)c1ccccn1.O=C(CC1CCCCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/2C24H30ClN5O2.C23H28ClN5O2.C22H28ClF2N3O2/c2*1-15(20-6-4-5-9-26-20)28-23(32)30-10-7-17(8-11-30)24(2,3)22(31)19-13-18(25)12-16-14-27-29-21(16)19;1-23(2,21(30)19-12-17(24)11-15-13-27-28-20(15)19)16-6-9-29(10-7-16)22(31)26-14-18-5-3-4-8-25-18;23-17-11-15-13-26-27-20(15)18(12-17)21(30)22(24,25)16-6-8-28(9-7-16)19(29)10-14-4-2-1-3-5-14/h2*4-6,9,12-15,17,22,31H,7-8,10-11H2,1-3H3,(H,27,29)(H,28,32);3-5,8,11-13,16,21,30H,6-7,9-10,14H2,1-2H3,(H,26,31)(H,27,28);11-14,16,21,30H,1-10H2,(H,26,27)/t2*15-,22?;;/m10../s1
• InChIKey: LFINTFZMVQDAJE-PUINTWMHSA-N
• XLogP: 19.09
• TPSA: 351.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.88
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?

The IUPAC name of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide (CID 159334350) is 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide.

What is the SMILES notation for 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?

The canonical SMILES for 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NCc2ccccn2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.C[C@@H](NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1)c1ccccn1.C[C@H](NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1)c1ccccn1.O=C(CC1CCCCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?

The InChIKey is LFINTFZMVQDAJE-PUINTWMHSA-N. The full InChI is InChI=1S/2C24H30ClN5O2.C23H28ClN5O2.C22H28ClF2N3O2/c2*1-15(20-6-4-5-9-26-20)28-23(32)30-10-7-17(8-11-30)24(2,3)22(31)19-13-18(25)12-16-14-27-29-21(16)19;1-23(2,21(30)19-12-17(24)11-15-13-27-28-20(15)19)16-6-9-29(10-7-16)22(31)26-14-18-5-3-4-8-25-18;23-17-11-15-13-26-27-20(15)18(12-17)21(30)22(24,25)16-6-8-28(9-7-16)19(29)10-14-4-2-1-3-5-14/h2*4-6,9,12-15,17,22,31H,7-8,10-11H2,1-3H3,(H,27,29)(H,28,32);3-5,8,11-13,16,21,30H,6-7,9-10,14H2,1-2H3,(H,26,31)(H,27,28);11-14,16,21,30H,1-10H2,(H,26,27)/t2*15-,22?;;/m10../s1.

What are the key properties of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?

1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 1793.88 g/mol, XLogP of 19.09, 20 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 159334350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).