tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate

C148H194F6N16O28S4 — CID 167675030

IUPACtert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate
SMILESCCCn1c(C#CCN(C(=O)OC(C)(C)C)c2c(F)cc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2c(F)cc(S(C)(=O)=O)cc2OC)cc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2ccc(S(C)(=O)=O)cc2OC)cc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cccc21
InChIInChI=1S/2C37H48F2N4O7S.2C37H49FN4O7S/c2*1-10-17-42-24(13-12-18-43(35(45)50-37(5,6)7)33-27(38)21-25(51(9,46)47)22-32(33)48-8)20-26-29(14-11-15-31(26)42)40-30-16-19-41(23-28(30)39)34(44)49-36(2,3)4;2*1-10-19-41-25(13-12-20-42(35(44)49-37(5,6)7)32-17-16-26(50(9,45)46)23-33(32)47-8)22-27-29(14-11-15-31(27)41)39-30-18-21-40(24-28(30)38)34(43)48-36(2,3)4/h2*11,14-15,20-22,28,30,40H,10,16-19,23H2,1-9H3;2*11,14-17,22-23,28,30,39H,10,18-21,24H2,1-9H3/t28-,30+;;28-,30+;/m1.1./s1
InChIKeyURJRYFGUEJGJHJ-IKYWDCJVSA-N
MW2887.52 g/mol
LogP28.34
Rot. Bonds32

About tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate

tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate (PubChem CID 167675030) has the molecular formula C148H194F6N16O28S4 and a molecular weight of 2887.52 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate
PubChem CID167675030
Molecular FormulaC148H194F6N16O28S4
Molecular Weight2887.52 g/mol
Exact Mass2885.30
IUPAC Nametert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate
SMILESCCCn1c(C#CCN(C(=O)OC(C)(C)C)c2c(F)cc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2c(F)cc(S(C)(=O)=O)cc2OC)cc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2ccc(S(C)(=O)=O)cc2OC)cc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cccc21
InChIInChI=1S/2C37H48F2N4O7S.2C37H49FN4O7S/c2*1-10-17-42-24(13-12-18-43(35(45)50-37(5,6)7)33-27(38)21-25(51(9,46)47)22-32(33)48-8)20-26-29(14-11-15-31(26)42)40-30-16-19-41(23-28(30)39)34(44)49-36(2,3)4;2*1-10-19-41-25(13-12-20-42(35(44)49-37(5,6)7)32-17-16-26(50(9,45)46)23-33(32)47-8)22-27-29(14-11-15-31(27)41)39-30-18-21-40(24-28(30)38)34(43)48-36(2,3)4/h2*11,14-15,20-22,28,30,40H,10,16-19,23H2,1-9H3;2*11,14-17,22-23,28,30,39H,10,18-21,24H2,1-9H3/t28-,30+;;28-,30+;/m1.1./s1
InChIKeyURJRYFGUEJGJHJ-IKYWDCJVSA-N
XLogP28.34
TPSA477.64 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002887.52
LogP ≤ 528.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate (CID 167675030) is tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate is CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2c(F)cc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2c(F)cc(S(C)(=O)=O)cc2OC)cc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc21.CCCn1c(C#CCN(C(=O)OC(C)(C)C)c2ccc(S(C)(=O)=O)cc2OC)cc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cccc21.
What is the InChIKey of tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is URJRYFGUEJGJHJ-IKYWDCJVSA-N. The full InChI is InChI=1S/2C37H48F2N4O7S.2C37H49FN4O7S/c2*1-10-17-42-24(13-12-18-43(35(45)50-37(5,6)7)33-27(38)21-25(51(9,46)47)22-32(33)48-8)20-26-29(14-11-15-31(26)42)40-30-16-19-41(23-28(30)39)34(44)49-36(2,3)4;2*1-10-19-41-25(13-12-20-42(35(44)49-37(5,6)7)32-17-16-26(50(9,45)46)23-33(32)47-8)22-27-29(14-11-15-31(27)41)39-30-18-21-40(24-28(30)38)34(43)48-36(2,3)4/h2*11,14-15,20-22,28,30,40H,10,16-19,23H2,1-9H3;2*11,14-17,22-23,28,30,39H,10,18-21,24H2,1-9H3/t28-,30+;;28-,30+;/m1.1./s1.
What are the key properties of tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 2887.52 g/mol, XLogP of 28.34, 32 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-fluoro-6-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-[[2-[3-[2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylanilino]prop-1-ynyl]-1-propylindol-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 167675030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).