4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone

C76H104Cl4N14O9 — CID 159603009

IUPAC4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)C2CC2)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12.CNC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCNC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C20H29ClN4O3.C20H26ClN3O2.C18H25ClN4O2.C18H24ClN3O2/c1-20(2,14-4-7-25(8-5-14)19(27)22-6-9-28-3)18(26)16-11-15(21)10-13-12-23-24-17(13)16;1-20(2,14-5-7-24(8-6-14)19(26)12-3-4-12)18(25)16-10-15(21)9-13-11-22-23-17(13)16;1-18(2,12-4-6-23(7-5-12)17(25)20-3)16(24)14-9-13(19)8-11-10-21-22-15(11)14;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24);9-12,14,18,25H,3-8H2,1-2H3,(H,22,23);8-10,12,16,24H,4-7H2,1-3H3,(H,20,25)(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t2*18-;16-;17-/m0000/s1
InChIKeyMLSLDARLIPTYFG-VXNZEWOUSA-N
MW1499.57 g/mol
LogP14.13
Rot. Bonds16

About 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone

4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone (PubChem CID 159603009) has the molecular formula C76H104Cl4N14O9 and a molecular weight of 1499.57 g/mol. Its IUPAC name is 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
PubChem CID159603009
Molecular FormulaC76H104Cl4N14O9
Molecular Weight1499.57 g/mol
Exact Mass1496.69
IUPAC Name4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)C2CC2)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12.CNC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCNC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C20H29ClN4O3.C20H26ClN3O2.C18H25ClN4O2.C18H24ClN3O2/c1-20(2,14-4-7-25(8-5-14)19(27)22-6-9-28-3)18(26)16-11-15(21)10-13-12-23-24-17(13)16;1-20(2,14-5-7-24(8-6-14)19(26)12-3-4-12)18(25)16-10-15(21)9-13-11-22-23-17(13)16;1-18(2,12-4-6-23(7-5-12)17(25)20-3)16(24)14-9-13(19)8-11-10-21-22-15(11)14;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24);9-12,14,18,25H,3-8H2,1-2H3,(H,22,23);8-10,12,16,24H,4-7H2,1-3H3,(H,20,25)(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t2*18-;16-;17-/m0000/s1
InChIKeyMLSLDARLIPTYFG-VXNZEWOUSA-N
XLogP14.13
TPSA310.17 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.57
LogP ≤ 514.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone (CID 159603009) is 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)C2CC2)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12.CNC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCNC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?
The InChIKey is MLSLDARLIPTYFG-VXNZEWOUSA-N. The full InChI is InChI=1S/C20H29ClN4O3.C20H26ClN3O2.C18H25ClN4O2.C18H24ClN3O2/c1-20(2,14-4-7-25(8-5-14)19(27)22-6-9-28-3)18(26)16-11-15(21)10-13-12-23-24-17(13)16;1-20(2,14-5-7-24(8-6-14)19(26)12-3-4-12)18(25)16-10-15(21)9-13-11-22-23-17(13)16;1-18(2,12-4-6-23(7-5-12)17(25)20-3)16(24)14-9-13(19)8-11-10-21-22-15(11)14;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24);9-12,14,18,25H,3-8H2,1-2H3,(H,22,23);8-10,12,16,24H,4-7H2,1-3H3,(H,20,25)(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t2*18-;16-;17-/m0000/s1.
What are the key properties of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?
4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 1499.57 g/mol, XLogP of 14.13, 16 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methylpiperidine-1-carboxamide;[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159603009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).