4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide

C72H98Cl3N15O8S — CID 158375067

IUPAC4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESC#CC1(CNC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C1CCN(C(=O)NCCNS(C)(=O)=O)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CN1CCN(Cc2ccc(NC(=O)N3CCC(C(C)(C)[C@H](O)c4cc(Cl)cc5cn[nH]c45)CC3)cc2)CC1
InChIInChI=1S/C29H39ClN6O2.C23H29ClN4O2.C20H30ClN5O4S/c1-29(2,27(37)25-17-23(30)16-21-18-31-33-26(21)25)22-8-10-36(11-9-22)28(38)32-24-6-4-20(5-7-24)19-35-14-12-34(3)13-15-35;1-4-23(7-8-23)14-25-21(30)28-9-5-16(6-10-28)22(2,3)20(29)18-12-17(24)11-15-13-26-27-19(15)18;1-20(2,18(27)16-11-15(21)10-13-12-23-25-17(13)16)14-4-8-26(9-5-14)19(28)22-6-7-24-31(3,29)30/h4-7,16-18,22,27,37H,8-15,19H2,1-3H3,(H,31,33)(H,32,38);1,11-13,16,20,29H,5-10,14H2,2-3H3,(H,25,30)(H,26,27);10-12,14,18,24,27H,4-9H2,1-3H3,(H,22,28)(H,23,25)/t27-;20-;18-/m111/s1
InChIKeyGVBWJSQZWQJAFQ-RZMOOTTGSA-N
MW1440.10 g/mol
LogP11.32
Rot. Bonds18

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide (PubChem CID 158375067) has the molecular formula C72H98Cl3N15O8S and a molecular weight of 1440.10 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide
PubChem CID158375067
Molecular FormulaC72H98Cl3N15O8S
Molecular Weight1440.10 g/mol
Exact Mass1437.65
IUPAC Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESC#CC1(CNC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C1CCN(C(=O)NCCNS(C)(=O)=O)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CN1CCN(Cc2ccc(NC(=O)N3CCC(C(C)(C)[C@H](O)c4cc(Cl)cc5cn[nH]c45)CC3)cc2)CC1
InChIInChI=1S/C29H39ClN6O2.C23H29ClN4O2.C20H30ClN5O4S/c1-29(2,27(37)25-17-23(30)16-21-18-31-33-26(21)25)22-8-10-36(11-9-22)28(38)32-24-6-4-20(5-7-24)19-35-14-12-34(3)13-15-35;1-4-23(7-8-23)14-25-21(30)28-9-5-16(6-10-28)22(2,3)20(29)18-12-17(24)11-15-13-26-27-19(15)18;1-20(2,18(27)16-11-15(21)10-13-12-23-25-17(13)16)14-4-8-26(9-5-14)19(28)22-6-7-24-31(3,29)30/h4-7,16-18,22,27,37H,8-15,19H2,1-3H3,(H,31,33)(H,32,38);1,11-13,16,20,29H,5-10,14H2,2-3H3,(H,25,30)(H,26,27);10-12,14,18,24,27H,4-9H2,1-3H3,(H,22,28)(H,23,25)/t27-;20-;18-/m111/s1
InChIKeyGVBWJSQZWQJAFQ-RZMOOTTGSA-N
XLogP11.32
TPSA296.40 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms99
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001440.10
LogP ≤ 511.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide (CID 158375067) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide is C#CC1(CNC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C1CCN(C(=O)NCCNS(C)(=O)=O)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CN1CCN(Cc2ccc(NC(=O)N3CCC(C(C)(C)[C@H](O)c4cc(Cl)cc5cn[nH]c45)CC3)cc2)CC1.
What is the InChIKey of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The InChIKey is GVBWJSQZWQJAFQ-RZMOOTTGSA-N. The full InChI is InChI=1S/C29H39ClN6O2.C23H29ClN4O2.C20H30ClN5O4S/c1-29(2,27(37)25-17-23(30)16-21-18-31-33-26(21)25)22-8-10-36(11-9-22)28(38)32-24-6-4-20(5-7-24)19-35-14-12-34(3)13-15-35;1-4-23(7-8-23)14-25-21(30)28-9-5-16(6-10-28)22(2,3)20(29)18-12-17(24)11-15-13-26-27-19(15)18;1-20(2,18(27)16-11-15(21)10-13-12-23-25-17(13)16)14-4-8-26(9-5-14)19(28)22-6-7-24-31(3,29)30/h4-7,16-18,22,27,37H,8-15,19H2,1-3H3,(H,31,33)(H,32,38);1,11-13,16,20,29H,5-10,14H2,2-3H3,(H,25,30)(H,26,27);10-12,14,18,24,27H,4-9H2,1-3H3,(H,22,28)(H,23,25)/t27-;20-;18-/m111/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 1440.10 g/mol, XLogP of 11.32, 18 rotatable bonds, 10 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-[(1-ethynylcyclopropyl)methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 158375067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).