4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide

C82H117Cl4FN16O9S — CID 161447488

IUPAC4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide
SMILESC=S(C)(=O)CNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NCC2CCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(F)CNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C22H31ClN4O2.C20H28ClFN4O2.C20H29ClN4O3S.C20H29ClN4O2/c1-22(2,20(28)18-11-17(23)10-15-13-25-26-19(15)18)16-6-8-27(9-7-16)21(29)24-12-14-4-3-5-14;1-12(22)10-23-19(28)26-6-4-14(5-7-26)20(2,3)18(27)16-9-15(21)8-13-11-24-25-17(13)16;1-20(2,18(26)16-10-15(21)9-13-11-23-24-17(13)16)14-5-7-25(8-6-14)19(27)22-12-29(3,4)28;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/h10-11,13-14,16,20,28H,3-9,12H2,1-2H3,(H,24,29)(H,25,26);8-9,11-12,14,18,27H,4-7,10H2,1-3H3,(H,23,28)(H,24,25);9-11,14,18,26H,3,5-8,12H2,1-2,4H3,(H,22,27)(H,23,24);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)/t20-;12?,18-;18-,29?;18-/m1111/s1
InChIKeyWABVLNZWMGYSTC-BGLQAVQCSA-N
MW1663.82 g/mol
LogP15.66
Rot. Bonds20

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide (PubChem CID 161447488) has the molecular formula C82H117Cl4FN16O9S and a molecular weight of 1663.82 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide
PubChem CID161447488
Molecular FormulaC82H117Cl4FN16O9S
Molecular Weight1663.82 g/mol
Exact Mass1660.76
IUPAC Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide
SMILESC=S(C)(=O)CNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NCC2CCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(F)CNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C22H31ClN4O2.C20H28ClFN4O2.C20H29ClN4O3S.C20H29ClN4O2/c1-22(2,20(28)18-11-17(23)10-15-13-25-26-19(15)18)16-6-8-27(9-7-16)21(29)24-12-14-4-3-5-14;1-12(22)10-23-19(28)26-6-4-14(5-7-26)20(2,3)18(27)16-9-15(21)8-13-11-24-25-17(13)16;1-20(2,18(26)16-10-15(21)9-13-11-23-24-17(13)16)14-5-7-25(8-6-14)19(27)22-12-29(3,4)28;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/h10-11,13-14,16,20,28H,3-9,12H2,1-2H3,(H,24,29)(H,25,26);8-9,11-12,14,18,27H,4-7,10H2,1-3H3,(H,23,28)(H,24,25);9-11,14,18,26H,3,5-8,12H2,1-2,4H3,(H,22,27)(H,23,24);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)/t20-;12?,18-;18-,29?;18-/m1111/s1
InChIKeyWABVLNZWMGYSTC-BGLQAVQCSA-N
XLogP15.66
TPSA342.07 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001663.82
LogP ≤ 515.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide (CID 161447488) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide is C=S(C)(=O)CNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NCC2CCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(F)CNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide?
The InChIKey is WABVLNZWMGYSTC-BGLQAVQCSA-N. The full InChI is InChI=1S/C22H31ClN4O2.C20H28ClFN4O2.C20H29ClN4O3S.C20H29ClN4O2/c1-22(2,20(28)18-11-17(23)10-15-13-25-26-19(15)18)16-6-8-27(9-7-16)21(29)24-12-14-4-3-5-14;1-12(22)10-23-19(28)26-6-4-14(5-7-26)20(2,3)18(27)16-9-15(21)8-13-11-24-25-17(13)16;1-20(2,18(26)16-10-15(21)9-13-11-23-24-17(13)16)14-5-7-25(8-6-14)19(27)22-12-29(3,4)28;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/h10-11,13-14,16,20,28H,3-9,12H2,1-2H3,(H,24,29)(H,25,26);8-9,11-12,14,18,27H,4-7,10H2,1-3H3,(H,23,28)(H,24,25);9-11,14,18,26H,3,5-8,12H2,1-2,4H3,(H,22,27)(H,23,24);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)/t20-;12?,18-;18-,29?;18-/m1111/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide has a molecular weight of 1663.82 g/mol, XLogP of 15.66, 20 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 161447488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).