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

C152H169F6N13O17 — CID 160922477

About 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

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 (PubChem CID 160922477) has the molecular formula C152H169F6N13O17 and a molecular weight of 2564.09 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160922477
• Molecular Formula: C152H169F6N13O17
• Molecular Weight: 2564.09 g/mol
• Exact Mass: 2562.27
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C1CCNCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5oc(=O)[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1F.COc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C)CC2)cc1.O=C(Cc1ccc2[nH]cc(-c3ccccc3)c2c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H29F3N2O4.C28H31F2N3O3.C26H21NO3.C24H28N2O2.C23H25FN2O2.C23H23N3O3.6H2/c1-26(2,3)24-13-16-12-20(19(29)15-21(16)33(24)18-6-10-35-11-7-18)32-25(34)27(8-9-27)17-4-5-22-23(14-17)37-28(30,31)36-22;1-26(2,3)24-15-17-14-19(5-6-21(17)33(24)20-8-12-31-13-9-20)32-25(34)27(10-11-27)18-4-7-22-23(16-18)36-28(29,30)35-22;28-25(26(10-11-26)19-7-9-23-24(14-19)30-16-29-23)13-17-6-8-22-20(12-17)21(15-27-22)18-4-2-1-3-5-18;1-23(2,3)21-15-16-14-18(8-11-20(16)26(21)4)25-22(27)24(12-13-24)17-6-9-19(28-5)10-7-17;1-22(2,3)20-12-14-11-16(6-7-18(14)26-20)25-21(27)23(9-10-23)15-5-8-19(28-4)17(24)13-15;1-22(2,3)19-11-13-10-15(5-6-16(13)25-19)24-20(27)23(8-9-23)14-4-7-18-17(12-14)26-21(28)29-18;;;;;;/h4-5,12-15,18H,6-11H2,1-3H3,(H,32,34);4-7,14-16,20,31H,8-13H2,1-3H3,(H,32,34);1-9,12,14-15,27H,10-11,13,16H2;6-11,14-15H,12-13H2,1-5H3,(H,25,27);5-8,11-13,26H,9-10H2,1-4H3,(H,25,27);4-7,10-12,25H,8-9H2,1-3H3,(H,24,27)(H,26,28);6*1H
• InChIKey: SSFAYKNNNXHRDO-UHFFFAOYSA-N
• XLogP: 34.17
• TPSA: 365.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.09
LogP ≤ 5	34.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C1CCNCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5oc(=O)[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1F.COc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C)CC2)cc1.O=C(Cc1ccc2[nH]cc(-c3ccccc3)c2c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 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?

The InChIKey is SSFAYKNNNXHRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N2O4.C28H31F2N3O3.C26H21NO3.C24H28N2O2.C23H25FN2O2.C23H23N3O3.6H2/c1-26(2,3)24-13-16-12-20(19(29)15-21(16)33(24)18-6-10-35-11-7-18)32-25(34)27(8-9-27)17-4-5-22-23(14-17)37-28(30,31)36-22;1-26(2,3)24-15-17-14-19(5-6-21(17)33(24)20-8-12-31-13-9-20)32-25(34)27(10-11-27)18-4-7-22-23(16-18)36-28(29,30)35-22;28-25(26(10-11-26)19-7-9-23-24(14-19)30-16-29-23)13-17-6-8-22-20(12-17)21(15-27-22)18-4-2-1-3-5-18;1-23(2,3)21-15-16-14-18(8-11-20(16)26(21)4)25-22(27)24(12-13-24)17-6-9-19(28-5)10-7-17;1-22(2,3)20-12-14-11-16(6-7-18(14)26-20)25-21(27)23(9-10-23)15-5-8-19(28-4)17(24)13-15;1-22(2,3)19-11-13-10-15(5-6-16(13)25-19)24-20(27)23(8-9-23)14-4-7-18-17(12-14)26-21(28)29-18;;;;;;/h4-5,12-15,18H,6-11H2,1-3H3,(H,32,34);4-7,14-16,20,31H,8-13H2,1-3H3,(H,32,34);1-9,12,14-15,27H,10-11,13,16H2;6-11,14-15H,12-13H2,1-5H3,(H,25,27);5-8,11-13,26H,9-10H2,1-4H3,(H,25,27);4-7,10-12,25H,8-9H2,1-3H3,(H,24,27)(H,26,28);6*1H.

What are the key properties of 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?

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 has a molecular weight of 2564.09 g/mol, XLogP of 34.17, 24 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160922477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).