1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

C124H125F8N13O20 — CID 157454313

About 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 157454313) has the molecular formula C124H125F8N13O20 and a molecular weight of 2269.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 157454313
• Molecular Formula: C124H125F8N13O20
• Molecular Weight: 2269.42 g/mol
• Exact Mass: 2267.90
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CC1=NCN=N1.CCCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2[nH]1.COc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc2c1OCO2
• InChI: InChI=1S/C28H29F2N5O4.C27H28F2N2O6.C24H26N2O4.C23H21F3N2O3.C22H21FN2O3/c1-26(2,3)23-11-16-10-18(5-6-20(16)35(23)14-19(36)13-24-31-15-32-34-24)33-25(37)27(8-9-27)17-4-7-21-22(12-17)39-28(29,30)38-21;1-25(2,3)22-11-15-10-17(5-6-19(15)31(22)14-18(32)13-23(33)34)30-24(35)26(8-9-26)16-4-7-20-21(12-16)37-27(28,29)36-20;1-23(2,3)20-10-14-9-16(5-6-17(14)26-20)25-22(27)24(7-8-24)15-11-18(28-4)21-19(12-15)29-13-30-21;1-21(2,3)19-9-12-8-16(14(24)11-15(12)27-19)28-20(29)22(6-7-22)13-4-5-17-18(10-13)31-23(25,26)30-17;1-2-3-15-8-13-9-16(11-17(23)20(13)24-15)25-21(26)22(6-7-22)14-4-5-18-19(10-14)28-12-27-18/h4-7,10-12,19,36H,8-9,13-15H2,1-3H3,(H,33,37);4-7,10-12,18,32H,8-9,13-14H2,1-3H3,(H,30,35)(H,33,34);5-6,9-12,26H,7-8,13H2,1-4H3,(H,25,27);4-5,8-11,27H,6-7H2,1-3H3,(H,28,29);4-5,8-11,24H,2-3,6-7,12H2,1H3,(H,25,26)
• InChIKey: BTEALSZUZNOQQI-UHFFFAOYSA-N
• XLogP: 25.40
• TPSA: 419.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2269.42
LogP ≤ 5	25.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 157454313) is 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CC1=NCN=N1.CCCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2[nH]1.COc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc2c1OCO2.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is BTEALSZUZNOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O4.C27H28F2N2O6.C24H26N2O4.C23H21F3N2O3.C22H21FN2O3/c1-26(2,3)23-11-16-10-18(5-6-20(16)35(23)14-19(36)13-24-31-15-32-34-24)33-25(37)27(8-9-27)17-4-7-21-22(12-17)39-28(29,30)38-21;1-25(2,3)22-11-15-10-17(5-6-19(15)31(22)14-18(32)13-23(33)34)30-24(35)26(8-9-26)16-4-7-20-21(12-16)37-27(28,29)36-20;1-23(2,3)20-10-14-9-16(5-6-17(14)26-20)25-22(27)24(7-8-24)15-11-18(28-4)21-19(12-15)29-13-30-21;1-21(2,3)19-9-12-8-16(14(24)11-15(12)27-19)28-20(29)22(6-7-22)13-4-5-17-18(10-13)31-23(25,26)30-17;1-2-3-15-8-13-9-16(11-17(23)20(13)24-15)25-21(26)22(6-7-22)14-4-5-18-19(10-14)28-12-27-18/h4-7,10-12,19,36H,8-9,13-15H2,1-3H3,(H,33,37);4-7,10-12,18,32H,8-9,13-14H2,1-3H3,(H,30,35)(H,33,34);5-6,9-12,26H,7-8,13H2,1-4H3,(H,25,27);4-5,8-11,27H,6-7H2,1-3H3,(H,28,29);4-5,8-11,24H,2-3,6-7,12H2,1H3,(H,25,26).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 2269.42 g/mol, XLogP of 25.40, 26 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-3-hydroxybutanoic acid;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(3H-1,2,4-triazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157454313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).