1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen

C148H173F3N14O25 — CID 158504149

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158504149) has the molecular formula C148H173F3N14O25 and a molecular weight of 2605.08 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158504149
• Molecular Formula: C148H173F3N14O25
• Molecular Weight: 2605.08 g/mol
• Exact Mass: 2603.26
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C(=O)NCCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)OC(=O)N1CCCCC1c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)C(=O)CCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2[nH]1.COc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc2cc(C(C)(C)C)n(C[C@H](O)CO)c12.O=C(Nc1cccc2[nH]ccc12)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H33N3O5.C27H30F2N2O6.C25H27N3O5.C25H26N2O3.C23H23FN2O3.C19H16N2O3.9H2/c1-28(2,3)37-27(34)32-13-5-4-6-23(32)22-15-18-14-20(8-9-21(18)31-22)30-26(33)29(11-12-29)19-7-10-24-25(16-19)36-17-35-24;1-25(2,3)22-10-15-9-17(12-21(35-4)23(15)31(22)13-18(33)14-32)30-24(34)26(7-8-26)16-5-6-19-20(11-16)37-27(28,29)36-19;1-24(2,22(30)26-9-10-29)21-12-15-11-17(4-5-18(15)28-21)27-23(31)25(7-8-25)16-3-6-19-20(13-16)33-14-32-19;1-24(2,3)22-13-15-12-17(5-6-19(15)27-22)26-23(29)25(9-10-25)16-4-7-21-18(14-16)20(28)8-11-30-21;1-22(2,3)19-9-13-8-15(11-16(24)20(13)26-19)25-21(27)23(6-7-23)14-4-5-17-18(10-14)29-12-28-17;22-18(21-15-3-1-2-14-13(15)6-9-20-14)19(7-8-19)12-4-5-16-17(10-12)24-11-23-16;;;;;;;;;/h7-10,14-16,23,31H,4-6,11-13,17H2,1-3H3,(H,30,33);5-6,9-12,18,32-33H,7-8,13-14H2,1-4H3,(H,30,34);3-6,11-13,28-29H,7-10,14H2,1-2H3,(H,26,30)(H,27,31);4-7,12-14,27H,8-11H2,1-3H3,(H,26,29);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);1-6,9-10,20H,7-8,11H2,(H,21,22);9*1H/t;18-;;;;;;;;;;;;;/m.0............./s1
• InChIKey: HKGNJXUVNMOCEK-OINGKVEISA-N
• XLogP: 29.16
• TPSA: 505.64 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2605.08
LogP ≤ 5	29.16
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 158504149) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C(=O)NCCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)OC(=O)N1CCCCC1c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)C(=O)CCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2[nH]1.COc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc2cc(C(C)(C)C)n(C[C@H](O)CO)c12.O=C(Nc1cccc2[nH]ccc12)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is HKGNJXUVNMOCEK-OINGKVEISA-N. The full InChI is InChI=1S/C29H33N3O5.C27H30F2N2O6.C25H27N3O5.C25H26N2O3.C23H23FN2O3.C19H16N2O3.9H2/c1-28(2,3)37-27(34)32-13-5-4-6-23(32)22-15-18-14-20(8-9-21(18)31-22)30-26(33)29(11-12-29)19-7-10-24-25(16-19)36-17-35-24;1-25(2,3)22-10-15-9-17(12-21(35-4)23(15)31(22)13-18(33)14-32)30-24(34)26(7-8-26)16-5-6-19-20(11-16)37-27(28,29)36-19;1-24(2,22(30)26-9-10-29)21-12-15-11-17(4-5-18(15)28-21)27-23(31)25(7-8-25)16-3-6-19-20(13-16)33-14-32-19;1-24(2,3)22-13-15-12-17(5-6-19(15)27-22)26-23(29)25(9-10-25)16-4-7-21-18(14-16)20(28)8-11-30-21;1-22(2,3)19-9-13-8-15(11-16(24)20(13)26-19)25-21(27)23(6-7-23)14-4-5-17-18(10-14)29-12-28-17;22-18(21-15-3-1-2-14-13(15)6-9-20-14)19(7-8-19)12-4-5-16-17(10-12)24-11-23-16;;;;;;;;;/h7-10,14-16,23,31H,4-6,11-13,17H2,1-3H3,(H,30,33);5-6,9-12,18,32-33H,7-8,13-14H2,1-4H3,(H,30,34);3-6,11-13,28-29H,7-10,14H2,1-2H3,(H,26,30)(H,27,31);4-7,12-14,27H,8-11H2,1-3H3,(H,26,29);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);1-6,9-10,20H,7-8,11H2,(H,21,22);9*1H/t;18-;;;;;;;;;;;;;/m.0............./s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2605.08 g/mol, XLogP of 29.16, 27 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-4-yl)cyclopropane-1-carboxamide;tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-7-methoxyindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-oxo-2,3-dihydrochromen-6-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158504149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).