1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C150H166ClF5N12O21 — CID 158409190

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158409190) has the molecular formula C150H166ClF5N12O21 and a molecular weight of 2603.48 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158409190
• Molecular Formula: C150H166ClF5N12O21
• Molecular Weight: 2603.48 g/mol
• Exact Mass: 2601.19
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1C1CCOCC1.COc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)ccc1Cl.COc1ccc(C2(C(=O)Nc3cc(F)c4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.Cc1cc2[nH]c(C(C)(C)C)cc2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C28H32N2O4.2C26H28F2N2O5.C24H26N2O3.C23H25ClN2O2.C23H25FN2O2.H2/c1-27(2,3)25-15-18-14-20(5-6-22(18)30(25)21-8-12-32-13-9-21)29-26(31)28(10-11-28)19-4-7-23-24(16-19)34-17-33-23;2*1-24(2,3)22-11-15-10-17(5-6-19(15)30(22)13-18(32)14-31)29-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;1-14-9-18-15(11-21(25-18)23(2,3)4)10-17(14)26-22(27)24(7-8-24)16-5-6-19-20(12-16)29-13-28-19;1-22(2,3)20-12-14-11-16(6-8-18(14)26-20)25-21(27)23(9-10-23)15-5-7-17(24)19(13-15)28-4;1-22(2,3)19-12-14-11-16(13-18(24)20(14)26-19)25-21(27)23(9-10-23)15-5-7-17(28-4)8-6-15;/h4-7,14-16,21H,8-13,17H2,1-3H3,(H,29,31);2*4-7,10-12,18,31-32H,8-9,13-14H2,1-3H3,(H,29,33);5-6,9-12,25H,7-8,13H2,1-4H3,(H,26,27);2*5-8,11-13,26H,9-10H2,1-4H3,(H,25,27);1H/t;18-;;;;;/m.1...../s1
• InChIKey: GZBWQDHWZRVUAT-ODUZCCQZSA-N
• XLogP: 30.76
• TPSA: 419.21 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2603.48
LogP ≤ 5	30.76
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 158409190) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1C1CCOCC1.COc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)ccc1Cl.COc1ccc(C2(C(=O)Nc3cc(F)c4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.Cc1cc2[nH]c(C(C)(C)C)cc2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is GZBWQDHWZRVUAT-ODUZCCQZSA-N. The full InChI is InChI=1S/C28H32N2O4.2C26H28F2N2O5.C24H26N2O3.C23H25ClN2O2.C23H25FN2O2.H2/c1-27(2,3)25-15-18-14-20(5-6-22(18)30(25)21-8-12-32-13-9-21)29-26(31)28(10-11-28)19-4-7-23-24(16-19)34-17-33-23;2*1-24(2,3)22-11-15-10-17(5-6-19(15)30(22)13-18(32)14-31)29-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;1-14-9-18-15(11-21(25-18)23(2,3)4)10-17(14)26-22(27)24(7-8-24)16-5-6-19-20(12-16)29-13-28-19;1-22(2,3)20-12-14-11-16(6-8-18(14)26-20)25-21(27)23(9-10-23)15-5-7-17(24)19(13-15)28-4;1-22(2,3)19-12-14-11-16(13-18(24)20(14)26-19)25-21(27)23(9-10-23)15-5-7-17(28-4)8-6-15;/h4-7,14-16,21H,8-13,17H2,1-3H3,(H,29,31);2*4-7,10-12,18,31-32H,8-9,13-14H2,1-3H3,(H,29,33);5-6,9-12,25H,7-8,13H2,1-4H3,(H,26,27);2*5-8,11-13,26H,9-10H2,1-4H3,(H,25,27);1H/t;18-;;;;;/m.1...../s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2603.48 g/mol, XLogP of 30.76, 27 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158409190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).