N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide

C123H127F4N13O13 — CID 159375198

IUPACN-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESCC(=O)NCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5nc[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1OCc1ccccc1.O=C(NCc1cc(C(F)(F)F)cc2cc[nH]c12)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C30H32N2O3.C26H29N3O4.C23H25FN2O2.C23H24N4O.C21H17F3N2O3/c1-29(2,3)27-17-21-16-23(11-12-24(21)32-27)31-28(33)30(14-15-30)22-10-13-25(34-4)26(18-22)35-19-20-8-6-5-7-9-20;1-15(30)27-13-17-10-19(9-16-11-22(25(2,3)4)29-23(16)17)28-24(31)26(7-8-26)18-5-6-20-21(12-18)33-14-32-20;1-22(2,3)20-12-14-11-19(17(24)13-18(14)25-20)26-21(27)23(9-10-23)15-5-7-16(28-4)8-6-15;1-22(2,3)20-11-14-10-16(5-7-17(14)27-20)26-21(28)23(8-9-23)15-4-6-18-19(12-15)25-13-24-18;22-21(23,24)15-7-12-3-6-25-18(12)13(8-15)10-26-19(27)20(4-5-20)14-1-2-16-17(9-14)29-11-28-16/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);5-6,9-12,29H,7-8,13-14H2,1-4H3,(H,27,30)(H,28,31);5-8,11-13,25H,9-10H2,1-4H3,(H,26,27);4-7,10-13,27H,8-9H2,1-3H3,(H,24,25)(H,26,28);1-3,6-9,25H,4-5,10-11H2,(H,26,27)
InChIKeyLKFMMDWKQLPIIV-UHFFFAOYSA-N
MW2071.44 g/mol
LogP25.78
Rot. Bonds23

About N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide

N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 159375198) has the molecular formula C123H127F4N13O13 and a molecular weight of 2071.44 g/mol. Its IUPAC name is N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID159375198
Molecular FormulaC123H127F4N13O13
Molecular Weight2071.44 g/mol
Exact Mass2069.96
IUPAC NameN-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESCC(=O)NCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5nc[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1OCc1ccccc1.O=C(NCc1cc(C(F)(F)F)cc2cc[nH]c12)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C30H32N2O3.C26H29N3O4.C23H25FN2O2.C23H24N4O.C21H17F3N2O3/c1-29(2,3)27-17-21-16-23(11-12-24(21)32-27)31-28(33)30(14-15-30)22-10-13-25(34-4)26(18-22)35-19-20-8-6-5-7-9-20;1-15(30)27-13-17-10-19(9-16-11-22(25(2,3)4)29-23(16)17)28-24(31)26(7-8-26)18-5-6-20-21(12-18)33-14-32-20;1-22(2,3)20-12-14-11-19(17(24)13-18(14)25-20)26-21(27)23(9-10-23)15-5-7-16(28-4)8-6-15;1-22(2,3)20-11-14-10-16(5-7-17(14)27-20)26-21(28)23(8-9-23)15-4-6-18-19(12-15)25-13-24-18;22-21(23,24)15-7-12-3-6-25-18(12)13(8-15)10-26-19(27)20(4-5-20)14-1-2-16-17(9-14)29-11-28-16/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);5-6,9-12,29H,7-8,13-14H2,1-4H3,(H,27,30)(H,28,31);5-8,11-13,25H,9-10H2,1-4H3,(H,26,27);4-7,10-13,27H,8-9H2,1-3H3,(H,24,25)(H,26,28);1-3,6-9,25H,4-5,10-11H2,(H,26,27)
InChIKeyLKFMMDWKQLPIIV-UHFFFAOYSA-N
XLogP25.78
TPSA346.84 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002071.44
LogP ≤ 525.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;molecular hydrogen
CID 157825833
N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158574785
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159777689
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-phenyl-1H-indol-5-yl)ethanone;N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-piperidin-4-ylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 160922477
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 161110139
N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161299390
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate
CID 161181361
6-(2,2-dimethylpropyl)-1H-benzimidazole;3-(2,2-dimethylpropyl)-1-benzofuran;1-(2,2-dimethylpropyl)-2-fluoro-4-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-(sulfinatoamino)benzene;1-isocyano-4-(2-methylpropyl)benzene;bis(1-methyl-4-(2-methylpropyl)benzene);5-methyl-2-(2-methylpropyl)phenol;4-(2-methylpropyl)benzamide;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)furan;3-(2-methylpropyl)-1H-indole;bis(sulfur dioxide)
CID 161595469
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 161778328

Frequently Asked Questions

What is the IUPAC name of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide (CID 159375198) is N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide is CC(=O)NCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5nc[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1OCc1ccccc1.O=C(NCc1cc(C(F)(F)F)cc2cc[nH]c12)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is LKFMMDWKQLPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3.C26H29N3O4.C23H25FN2O2.C23H24N4O.C21H17F3N2O3/c1-29(2,3)27-17-21-16-23(11-12-24(21)32-27)31-28(33)30(14-15-30)22-10-13-25(34-4)26(18-22)35-19-20-8-6-5-7-9-20;1-15(30)27-13-17-10-19(9-16-11-22(25(2,3)4)29-23(16)17)28-24(31)26(7-8-26)18-5-6-20-21(12-18)33-14-32-20;1-22(2,3)20-12-14-11-19(17(24)13-18(14)25-20)26-21(27)23(9-10-23)15-5-7-16(28-4)8-6-15;1-22(2,3)20-11-14-10-16(5-7-17(14)27-20)26-21(28)23(8-9-23)15-4-6-18-19(12-15)25-13-24-18;22-21(23,24)15-7-12-3-6-25-18(12)13(8-15)10-26-19(27)20(4-5-20)14-1-2-16-17(9-14)29-11-28-16/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);5-6,9-12,29H,7-8,13-14H2,1-4H3,(H,27,30)(H,28,31);5-8,11-13,25H,9-10H2,1-4H3,(H,26,27);4-7,10-13,27H,8-9H2,1-3H3,(H,24,25)(H,26,28);1-3,6-9,25H,4-5,10-11H2,(H,26,27).
What are the key properties of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 2071.44 g/mol, XLogP of 25.78, 23 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159375198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).