N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C104H121F8N13O17S — CID 159734563

IUPACN-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2n1CCO.CC(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.Cc1ncc(S(=O)(=O)NC[C@H](O)Cn2c(C(C)(C)C)cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc32)[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H33F2N5O6S.C26H25F2N3O4.C24H21F2N3O3.C24H24F2N2O4.9H2/c1-17-33-15-26(35-17)44(40,41)34-14-21(38)16-37-22-7-6-20(11-18(22)12-25(37)28(2,3)4)36-27(39)29(9-10-29)19-5-8-23-24(13-19)43-30(31,32)42-23;1-24(2,3)22-12-15-10-18(16(14-29)11-19(15)31(22)8-9-32)30-23(33)25(6-7-25)17-4-5-20-21(13-17)35-26(27,28)34-20;1-22(2,3)20-10-13-8-17(14(12-27)9-16(13)28-20)29-21(30)23(6-7-23)15-4-5-18-19(11-15)32-24(25,26)31-18;1-14(2)19-12-15-11-17(4-5-18(15)28(19)9-10-29)27-22(30)23(7-8-23)16-3-6-20-21(13-16)32-24(25,26)31-20;;;;;;;;;/h5-8,11-13,15,21,34,38H,9-10,14,16H2,1-4H3,(H,33,35)(H,36,39);4-5,10-13,32H,6-9H2,1-3H3,(H,30,33);4-5,8-11,28H,6-7H2,1-3H3,(H,29,30);3-6,11-14,29H,7-10H2,1-2H3,(H,27,30);9*1H/t21-;;;;;;;;;;;;/m0............/s1
InChIKeyNBRAESXGNAMXSU-NEBROTBLSA-N
MW2009.24 g/mol
LogP21.39
Rot. Bonds23

About N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159734563) has the molecular formula C104H121F8N13O17S and a molecular weight of 2009.24 g/mol. Its IUPAC name is N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159734563
Molecular FormulaC104H121F8N13O17S
Molecular Weight2009.24 g/mol
Exact Mass2007.86
IUPAC NameN-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2n1CCO.CC(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.Cc1ncc(S(=O)(=O)NC[C@H](O)Cn2c(C(C)(C)C)cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc32)[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H33F2N5O6S.C26H25F2N3O4.C24H21F2N3O3.C24H24F2N2O4.9H2/c1-17-33-15-26(35-17)44(40,41)34-14-21(38)16-37-22-7-6-20(11-18(22)12-25(37)28(2,3)4)36-27(39)29(9-10-29)19-5-8-23-24(13-19)43-30(31,32)42-23;1-24(2,3)22-12-15-10-18(16(14-29)11-19(15)31(22)8-9-32)30-23(33)25(6-7-25)17-4-5-20-21(13-17)35-26(27,28)34-20;1-22(2,3)20-10-13-8-17(14(12-27)9-16(13)28-20)29-21(30)23(6-7-23)15-4-5-18-19(11-15)32-24(25,26)31-18;1-14(2)19-12-15-11-17(4-5-18(15)28(19)9-10-29)27-22(30)23(7-8-23)16-3-6-20-21(13-16)32-24(25,26)31-20;;;;;;;;;/h5-8,11-13,15,21,34,38H,9-10,14,16H2,1-4H3,(H,33,35)(H,36,39);4-5,10-13,32H,6-9H2,1-3H3,(H,30,33);4-5,8-11,28H,6-7H2,1-3H3,(H,29,30);3-6,11-14,29H,7-10H2,1-2H3,(H,27,30);9*1H/t21-;;;;;;;;;;;;/m0............/s1
InChIKeyNBRAESXGNAMXSU-NEBROTBLSA-N
XLogP21.39
TPSA403.94 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002009.24
LogP ≤ 521.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen 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

N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59129227
N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59129462
N-[2-tert-butyl-1-[2-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]prop-2-enyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 89329038
N-[2-tert-butyl-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 130410990
N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;methyl N-[(2S)-3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
CID 157350761
N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157441248
N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157564449
N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158620687
N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;methyl N-[(2S)-3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
CID 159079621
N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159495585
N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159672635
N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 160598762

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159734563) is N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2n1CCO.CC(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.Cc1ncc(S(=O)(=O)NC[C@H](O)Cn2c(C(C)(C)C)cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc32)[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is NBRAESXGNAMXSU-NEBROTBLSA-N. The full InChI is InChI=1S/C30H33F2N5O6S.C26H25F2N3O4.C24H21F2N3O3.C24H24F2N2O4.9H2/c1-17-33-15-26(35-17)44(40,41)34-14-21(38)16-37-22-7-6-20(11-18(22)12-25(37)28(2,3)4)36-27(39)29(9-10-29)19-5-8-23-24(13-19)43-30(31,32)42-23;1-24(2,3)22-12-15-10-18(16(14-29)11-19(15)31(22)8-9-32)30-23(33)25(6-7-25)17-4-5-20-21(13-17)35-26(27,28)34-20;1-22(2,3)20-10-13-8-17(14(12-27)9-16(13)28-20)29-21(30)23(6-7-23)15-4-5-18-19(11-15)32-24(25,26)31-18;1-14(2)19-12-15-11-17(4-5-18(15)28(19)9-10-29)27-22(30)23(7-8-23)16-3-6-20-21(13-16)32-24(25,26)31-20;;;;;;;;;/h5-8,11-13,15,21,34,38H,9-10,14,16H2,1-4H3,(H,33,35)(H,36,39);4-5,10-13,32H,6-9H2,1-3H3,(H,30,33);4-5,8-11,28H,6-7H2,1-3H3,(H,29,30);3-6,11-14,29H,7-10H2,1-2H3,(H,27,30);9*1H/t21-;;;;;;;;;;;;/m0............/s1.
What are the key properties of N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2009.24 g/mol, XLogP of 21.39, 23 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-6-cyano-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-6-cyano-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159734563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).