4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)

C66H69Cl3F6N12O6 — CID 158498653

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)
SMILESCc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1cccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1
InChIInChI=1S/3C22H23ClF2N4O2/c2*1-13-2-4-17(5-3-13)27-21(31)29-8-6-15(7-9-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18;1-13-3-2-4-17(9-13)27-21(31)29-7-5-15(6-8-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18/h2*2-5,10-12,15,20,30H,6-9H2,1H3,(H,26,28)(H,27,31);2-4,9-12,15,20,30H,5-8H2,1H3,(H,26,28)(H,27,31)
InChIKeyHJPNQGPGJXWWNT-UHFFFAOYSA-N
MW1346.70 g/mol
LogP15.41
Rot. Bonds12

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide) (PubChem CID 158498653) has the molecular formula C66H69Cl3F6N12O6 and a molecular weight of 1346.70 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide).

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)
PubChem CID158498653
Molecular FormulaC66H69Cl3F6N12O6
Molecular Weight1346.70 g/mol
Exact Mass1344.44
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)
SMILESCc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1cccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1
InChIInChI=1S/3C22H23ClF2N4O2/c2*1-13-2-4-17(5-3-13)27-21(31)29-8-6-15(7-9-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18;1-13-3-2-4-17(9-13)27-21(31)29-7-5-15(6-8-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18/h2*2-5,10-12,15,20,30H,6-9H2,1H3,(H,26,28)(H,27,31);2-4,9-12,15,20,30H,5-8H2,1H3,(H,26,28)(H,27,31)
InChIKeyHJPNQGPGJXWWNT-UHFFFAOYSA-N
XLogP15.41
TPSA243.75 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.70
LogP ≤ 515.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide) with MolForge

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Related Compounds

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 134368025
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 134368027
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 134373273
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 134373278
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 134373305
4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 134373430
4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 134373505
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide
CID 134373508
N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide
CID 134373533
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide
CID 134373535
(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 134373541
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 134373602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide) (CID 158498653) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide).
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide) is Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1cccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.
What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)?
The InChIKey is HJPNQGPGJXWWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H23ClF2N4O2/c2*1-13-2-4-17(5-3-13)27-21(31)29-8-6-15(7-9-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18;1-13-3-2-4-17(9-13)27-21(31)29-7-5-15(6-8-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18/h2*2-5,10-12,15,20,30H,6-9H2,1H3,(H,26,28)(H,27,31);2-4,9-12,15,20,30H,5-8H2,1H3,(H,26,28)(H,27,31).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide)?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide) has a molecular weight of 1346.70 g/mol, XLogP of 15.41, 12 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;bis(4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-methylphenyl)piperidine-1-carboxamide) is sourced from PubChem (CID 158498653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).