N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C177H202F2N14O25 — CID 159034353

IUPACN-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC1CCOCC1.CC(C)(CCC#N)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)cc1.Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H34N2O4.C26H26F2N2O5.C26H29NO4.C25H25N3O3.C25H26N2O4.C24H26N2O3.C22H22N2O2.7H2/c1-28(2,3)26-15-20-14-22(5-6-23(20)31(26)17-19-8-12-33-13-9-19)30-27(32)29(10-11-29)21-4-7-24-25(16-21)35-18-34-24;1-24(2,3)21-13-15-12-17(5-6-18(15)30(21)11-8-22(31)32)29-23(33)25(9-10-25)16-4-7-19-20(14-16)35-26(27,28)34-19;1-25(2,3)24-18(8-11-28)19-12-16(4-6-20(19)27-24)13-23(29)26(9-10-26)17-5-7-21-22(14-17)31-15-30-21;1-24(2,8-3-11-26)22-13-16-12-18(5-6-19(16)28-22)27-23(29)25(9-10-25)17-4-7-20-21(14-17)31-15-30-20;1-14(28)18-12-17(9-15-10-21(24(2,3)4)27-22(15)18)26-23(29)25(7-8-25)16-5-6-19-20(11-16)31-13-30-19;1-23(2,3)21-12-15-11-17(6-7-18(15)26(21)4)25-22(27)24(9-10-24)16-5-8-19-20(13-16)29-14-28-19;1-26-18-7-4-16(5-8-18)22(10-11-22)21(25)23-17-6-9-19-15(12-17)13-20(24-19)14-2-3-14;;;;;;;/h4-7,14-16,19H,8-13,17-18H2,1-3H3,(H,30,32);4-7,12-14H,8-11H2,1-3H3,(H,29,33)(H,31,32);4-7,12,14,27-28H,8-11,13,15H2,1-3H3;4-7,12-14,28H,3,8-10,15H2,1-2H3,(H,27,29);5-6,9-12,27H,7-8,13H2,1-4H3,(H,26,29);5-8,11-13H,9-10,14H2,1-4H3,(H,25,27);4-9,12-14,24H,2-3,10-11H2,1H3,(H,23,25);7*1H
InChIKeyJVGSVHNSGXEVCW-UHFFFAOYSA-N
MW2963.63 g/mol
LogP37.28
Rot. Bonds35

About N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159034353) has the molecular formula C177H202F2N14O25 and a molecular weight of 2963.63 g/mol. Its IUPAC name is N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159034353
Molecular FormulaC177H202F2N14O25
Molecular Weight2963.63 g/mol
Exact Mass2961.49
IUPAC NameN-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC1CCOCC1.CC(C)(CCC#N)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)cc1.Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H34N2O4.C26H26F2N2O5.C26H29NO4.C25H25N3O3.C25H26N2O4.C24H26N2O3.C22H22N2O2.7H2/c1-28(2,3)26-15-20-14-22(5-6-23(20)31(26)17-19-8-12-33-13-9-19)30-27(32)29(10-11-29)21-4-7-24-25(16-21)35-18-34-24;1-24(2,3)21-13-15-12-17(5-6-18(15)30(21)11-8-22(31)32)29-23(33)25(9-10-25)16-4-7-19-20(14-16)35-26(27,28)34-19;1-25(2,3)24-18(8-11-28)19-12-16(4-6-20(19)27-24)13-23(29)26(9-10-26)17-5-7-21-22(14-17)31-15-30-21;1-24(2,8-3-11-26)22-13-16-12-18(5-6-19(16)28-22)27-23(29)25(9-10-25)17-4-7-20-21(14-17)31-15-30-20;1-14(28)18-12-17(9-15-10-21(24(2,3)4)27-22(15)18)26-23(29)25(7-8-25)16-5-6-19-20(11-16)31-13-30-19;1-23(2,3)21-12-15-11-17(6-7-18(15)26(21)4)25-22(27)24(9-10-24)16-5-8-19-20(13-16)29-14-28-19;1-26-18-7-4-16(5-8-18)22(10-11-22)21(25)23-17-6-9-19-15(12-17)13-20(24-19)14-2-3-14;;;;;;;/h4-7,14-16,19H,8-13,17-18H2,1-3H3,(H,30,32);4-7,12-14H,8-11H2,1-3H3,(H,29,33)(H,31,32);4-7,12,14,27-28H,8-11,13,15H2,1-3H3;4-7,12-14,28H,3,8-10,15H2,1-2H3,(H,27,29);5-6,9-12,27H,7-8,13H2,1-4H3,(H,26,29);5-8,11-13H,9-10,14H2,1-4H3,(H,25,27);4-9,12-14,24H,2-3,10-11H2,1H3,(H,23,25);7*1H
InChIKeyJVGSVHNSGXEVCW-UHFFFAOYSA-N
XLogP37.28
TPSA497.23 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.63
LogP ≤ 537.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159034353) is N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC1CCOCC1.CC(C)(CCC#N)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)cc1.Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is JVGSVHNSGXEVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4.C26H26F2N2O5.C26H29NO4.C25H25N3O3.C25H26N2O4.C24H26N2O3.C22H22N2O2.7H2/c1-28(2,3)26-15-20-14-22(5-6-23(20)31(26)17-19-8-12-33-13-9-19)30-27(32)29(10-11-29)21-4-7-24-25(16-21)35-18-34-24;1-24(2,3)21-13-15-12-17(5-6-18(15)30(21)11-8-22(31)32)29-23(33)25(9-10-25)16-4-7-19-20(14-16)35-26(27,28)34-19;1-25(2,3)24-18(8-11-28)19-12-16(4-6-20(19)27-24)13-23(29)26(9-10-26)17-5-7-21-22(14-17)31-15-30-21;1-24(2,8-3-11-26)22-13-16-12-18(5-6-19(16)28-22)27-23(29)25(9-10-25)17-4-7-20-21(14-17)31-15-30-20;1-14(28)18-12-17(9-15-10-21(24(2,3)4)27-22(15)18)26-23(29)25(7-8-25)16-5-6-19-20(11-16)31-13-30-19;1-23(2,3)21-12-15-11-17(6-7-18(15)26(21)4)25-22(27)24(9-10-24)16-5-8-19-20(13-16)29-14-28-19;1-26-18-7-4-16(5-8-18)22(10-11-22)21(25)23-17-6-9-19-15(12-17)13-20(24-19)14-2-3-14;;;;;;;/h4-7,14-16,19H,8-13,17-18H2,1-3H3,(H,30,32);4-7,12-14H,8-11H2,1-3H3,(H,29,33)(H,31,32);4-7,12,14,27-28H,8-11,13,15H2,1-3H3;4-7,12-14,28H,3,8-10,15H2,1-2H3,(H,27,29);5-6,9-12,27H,7-8,13H2,1-4H3,(H,26,29);5-8,11-13H,9-10,14H2,1-4H3,(H,25,27);4-9,12-14,24H,2-3,10-11H2,1H3,(H,23,25);7*1H.
What are the key properties of N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2963.63 g/mol, XLogP of 37.28, 35 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-2-tert-butyl-1H-indol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-cyano-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-(2-hydroxyethyl)-1H-indol-5-yl]ethanone;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;N-(2-cyclopropyl-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159034353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).