4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide

C119H139Cl5FN21O12 — CID 158260699

IUPAC4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccccc2C#N)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccccc2F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.COc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.COc1ccccc1NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1
InChIInChI=1S/C24H26ClN5O2.2C24H29ClN4O3.C24H29ClN4O2.C23H26ClFN4O2/c1-24(2,22(31)19-12-18(25)11-16-14-27-29-21(16)19)17-7-9-30(10-8-17)23(32)28-20-6-4-3-5-15(20)13-26;1-24(2,22(30)20-12-17(25)11-15-14-26-28-21(15)20)16-7-9-29(10-8-16)23(31)27-18-5-4-6-19(13-18)32-3;1-24(2,22(30)18-13-17(25)12-15-14-26-28-21(15)18)16-8-10-29(11-9-16)23(31)27-19-6-4-5-7-20(19)32-3;1-15-5-4-6-19(11-15)27-23(31)29-9-7-17(8-10-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-23(2,21(30)17-12-16(24)11-14-13-26-28-20(14)17)15-7-9-29(10-8-15)22(31)27-19-6-4-3-5-18(19)25/h3-6,11-12,14,17,22,31H,7-10H2,1-2H3,(H,27,29)(H,28,32);4-6,11-14,16,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);4-7,12-14,16,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);4-6,11-14,17,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);3-6,11-13,15,21,30H,7-10H2,1-2H3,(H,26,28)(H,27,31)
InChIKeyGHVLQEDCDNBGIA-UHFFFAOYSA-N
MW2251.82 g/mol
LogP26.44
Rot. Bonds22

About 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 158260699) has the molecular formula C119H139Cl5FN21O12 and a molecular weight of 2251.82 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID158260699
Molecular FormulaC119H139Cl5FN21O12
Molecular Weight2251.82 g/mol
Exact Mass2247.93
IUPAC Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccccc2C#N)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccccc2F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.COc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.COc1ccccc1NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1
InChIInChI=1S/C24H26ClN5O2.2C24H29ClN4O3.C24H29ClN4O2.C23H26ClFN4O2/c1-24(2,22(31)19-12-18(25)11-16-14-27-29-21(16)19)17-7-9-30(10-8-17)23(32)28-20-6-4-3-5-15(20)13-26;1-24(2,22(30)20-12-17(25)11-15-14-26-28-21(15)20)16-7-9-29(10-8-16)23(31)27-18-5-4-6-19(13-18)32-3;1-24(2,22(30)18-13-17(25)12-15-14-26-28-21(15)18)16-8-10-29(11-9-16)23(31)27-19-6-4-5-7-20(19)32-3;1-15-5-4-6-19(11-15)27-23(31)29-9-7-17(8-10-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-23(2,21(30)17-12-16(24)11-14-13-26-28-20(14)17)15-7-9-29(10-8-15)22(31)27-19-6-4-3-5-18(19)25/h3-6,11-12,14,17,22,31H,7-10H2,1-2H3,(H,27,29)(H,28,32);4-6,11-14,16,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);4-7,12-14,16,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);4-6,11-14,17,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);3-6,11-13,15,21,30H,7-10H2,1-2H3,(H,26,28)(H,27,31)
InChIKeyGHVLQEDCDNBGIA-UHFFFAOYSA-N
XLogP26.44
TPSA448.50 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002251.82
LogP ≤ 526.44
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

Analyze 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 158260699) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccccc2C#N)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccccc2F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.COc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.COc1ccccc1NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.
What is the InChIKey of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is GHVLQEDCDNBGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2.2C24H29ClN4O3.C24H29ClN4O2.C23H26ClFN4O2/c1-24(2,22(31)19-12-18(25)11-16-14-27-29-21(16)19)17-7-9-30(10-8-17)23(32)28-20-6-4-3-5-15(20)13-26;1-24(2,22(30)20-12-17(25)11-15-14-26-28-21(15)20)16-7-9-29(10-8-16)23(31)27-18-5-4-6-19(13-18)32-3;1-24(2,22(30)18-13-17(25)12-15-14-26-28-21(15)18)16-8-10-29(11-9-16)23(31)27-19-6-4-5-7-20(19)32-3;1-15-5-4-6-19(11-15)27-23(31)29-9-7-17(8-10-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-23(2,21(30)17-12-16(24)11-14-13-26-28-20(14)17)15-7-9-29(10-8-15)22(31)27-19-6-4-3-5-18(19)25/h3-6,11-12,14,17,22,31H,7-10H2,1-2H3,(H,27,29)(H,28,32);4-6,11-14,16,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);4-7,12-14,16,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);4-6,11-14,17,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);3-6,11-13,15,21,30H,7-10H2,1-2H3,(H,26,28)(H,27,31).
What are the key properties of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 2251.82 g/mol, XLogP of 26.44, 22 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 158260699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).