2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride

C119H138Cl4F9N13O16Si2 — CID 158515263

IUPAC2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO[Si](C)(C)C(C)(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.C[C@H](CO[Si](C)(C)C(C)(C)C)NCC(=O)Nc1cccc(-c2ccccc2Cl)c1F.Cl
InChIInChI=1S/C42H50ClF3N4O5Si.C36H36ClF3N4O5.C23H32ClFN2O2Si.C18H19F2N3O4.ClH/c1-27(25-55-56(6,7)41(3,4)5)50(23-37(52)47-35-15-10-13-31(40(35)44)30-12-8-9-14-34(30)43)39(54)24-49-22-33(28(2)51)32-20-29(16-17-36(32)49)21-38(53)48-19-11-18-42(45,46)26-48;1-22(20-45)44(18-32(47)41-30-10-5-8-26(35(30)38)25-7-3-4-9-29(25)37)34(49)19-43-17-28(23(2)46)27-15-24(11-12-31(27)43)16-33(48)42-14-6-13-36(39,40)21-42;1-16(15-29-30(5,6)23(2,3)4)26-14-21(28)27-20-13-9-11-18(22(20)25)17-10-7-8-12-19(17)24;1-11(24)14-8-23(9-16(25)26)15-4-3-12(7-13(14)15)21-17(27)22-6-2-5-18(19,20)10-22;/h8-10,12-17,20,22,27H,11,18-19,21,23-26H2,1-7H3,(H,47,52);3-5,7-12,15,17,22,45H,6,13-14,16,18-21H2,1-2H3,(H,41,47);7-13,16,26H,14-15H2,1-6H3,(H,27,28);3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,27)(H,25,26);1H/t27-;22-;16-;;/m111../s1
InChIKeyNYAVRQLUIDZHFY-MIXFLUMJSA-N
MW2375.45 g/mol
LogP24.63
Rot. Bonds36

About 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride

2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride (PubChem CID 158515263) has the molecular formula C119H138Cl4F9N13O16Si2 and a molecular weight of 2375.45 g/mol. Its IUPAC name is 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride
PubChem CID158515263
Molecular FormulaC119H138Cl4F9N13O16Si2
Molecular Weight2375.45 g/mol
Exact Mass2371.85
IUPAC Name2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO[Si](C)(C)C(C)(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.C[C@H](CO[Si](C)(C)C(C)(C)C)NCC(=O)Nc1cccc(-c2ccccc2Cl)c1F.Cl
InChIInChI=1S/C42H50ClF3N4O5Si.C36H36ClF3N4O5.C23H32ClFN2O2Si.C18H19F2N3O4.ClH/c1-27(25-55-56(6,7)41(3,4)5)50(23-37(52)47-35-15-10-13-31(40(35)44)30-12-8-9-14-34(30)43)39(54)24-49-22-33(28(2)51)32-20-29(16-17-36(32)49)21-38(53)48-19-11-18-42(45,46)26-48;1-22(20-45)44(18-32(47)41-30-10-5-8-26(35(30)38)25-7-3-4-9-29(25)37)34(49)19-43-17-28(23(2)46)27-15-24(11-12-31(27)43)16-33(48)42-14-6-13-36(39,40)21-42;1-16(15-29-30(5,6)23(2,3)4)26-14-21(28)27-20-13-9-11-18(22(20)25)17-10-7-8-12-19(17)24;1-11(24)14-8-23(9-16(25)26)15-4-3-12(7-13(14)15)21-17(27)22-6-2-5-18(19,20)10-22;/h8-10,12-17,20,22,27H,11,18-19,21,23-26H2,1-7H3,(H,47,52);3-5,7-12,15,17,22,45H,6,13-14,16,18-21H2,1-2H3,(H,41,47);7-13,16,26H,14-15H2,1-6H3,(H,27,28);3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,27)(H,25,26);1H/t27-;22-;16-;;/m111../s1
InChIKeyNYAVRQLUIDZHFY-MIXFLUMJSA-N
XLogP24.63
TPSA354.90 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.45
LogP ≤ 524.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide
CID 130299741
N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide
CID 138608721
N-[3-acetyl-1-[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide
CID 141663681
N-[3-acetyl-1-[2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide
CID 141716480
N-[3-acetyl-1-[2-[[1-[3-(2-chlorophenyl)-2-fluoroanilino]-3-oxopropan-2-yl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide
CID 156371348
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 157394500
2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 157726565
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-2-aminoacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 158235256
3-acetyl-1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indole-5-carboxylic acid;N-[3-acetyl-1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;2-methyloxolane
CID 158524449
CID 158948270
CID 158948270
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;methane;hydrochloride
CID 158970348
2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride
CID 159119903

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride (CID 158515263) is 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride is CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO[Si](C)(C)C(C)(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.C[C@H](CO[Si](C)(C)C(C)(C)C)NCC(=O)Nc1cccc(-c2ccccc2Cl)c1F.Cl.
What is the InChIKey of 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride?
The InChIKey is NYAVRQLUIDZHFY-MIXFLUMJSA-N. The full InChI is InChI=1S/C42H50ClF3N4O5Si.C36H36ClF3N4O5.C23H32ClFN2O2Si.C18H19F2N3O4.ClH/c1-27(25-55-56(6,7)41(3,4)5)50(23-37(52)47-35-15-10-13-31(40(35)44)30-12-8-9-14-34(30)43)39(54)24-49-22-33(28(2)51)32-20-29(16-17-36(32)49)21-38(53)48-19-11-18-42(45,46)26-48;1-22(20-45)44(18-32(47)41-30-10-5-8-26(35(30)38)25-7-3-4-9-29(25)37)34(49)19-43-17-28(23(2)46)27-15-24(11-12-31(27)43)16-33(48)42-14-6-13-36(39,40)21-42;1-16(15-29-30(5,6)23(2,3)4)26-14-21(28)27-20-13-9-11-18(22(20)25)17-10-7-8-12-19(17)24;1-11(24)14-8-23(9-16(25)26)15-4-3-12(7-13(14)15)21-17(27)22-6-2-5-18(19,20)10-22;/h8-10,12-17,20,22,27H,11,18-19,21,23-26H2,1-7H3,(H,47,52);3-5,7-12,15,17,22,45H,6,13-14,16,18-21H2,1-2H3,(H,41,47);7-13,16,26H,14-15H2,1-6H3,(H,27,28);3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,27)(H,25,26);1H/t27-;22-;16-;;/m111../s1.
What are the key properties of 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride?
2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride has a molecular weight of 2375.45 g/mol, XLogP of 24.63, 36 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indol-1-yl]acetic acid;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 158515263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).