1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C122H130F3N9O18 — CID 159313557

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1C(CO)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4cccc(O)c4)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc3n2C[C@H](O)CO)CC1.Cc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.Cn1c(C2CC2)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H]
InChIInChI=1S/C26H25F3N2O5.C26H30N2O5.C25H27NO3.C23H22N2O3.C22H24N2O2.H2/c1-24(4-5-24)22-9-14-8-18(17(27)11-19(14)31(22)12-16(33)13-32)30-23(34)25(6-7-25)15-2-3-20-21(10-15)36-26(28,29)35-20;1-25(2,3)23-11-16-10-18(5-6-20(16)28(23)19(13-29)14-30)27-24(31)26(8-9-26)17-4-7-21-22(12-17)33-15-32-21;1-15-18-11-16(5-7-19(18)26-23(15)24(2,3)4)12-22(27)25(9-10-25)17-6-8-20-21(13-17)29-14-28-20;1-25-18-6-5-17(10-15(18)11-19(25)14-2-3-14)24-22(26)23(8-9-23)16-4-7-20-21(12-16)28-13-27-20;1-21(2,3)19-12-14-11-16(7-8-18(14)24-19)23-20(26)22(9-10-22)15-5-4-6-17(25)13-15;/h2-3,8-11,16,32-33H,4-7,12-13H2,1H3,(H,30,34);4-7,10-12,19,29-30H,8-9,13-15H2,1-3H3,(H,27,31);5-8,11,13,26H,9-10,12,14H2,1-4H3;4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,24,26);4-8,11-13,24-25H,9-10H2,1-3H3,(H,23,26);1H/t16-;;;;;/m0...../s1
InChIKeyLCVRZBKLKKOGIH-KVDBKFDSSA-N
MW2067.42 g/mol
LogP22.93
Rot. Bonds24

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159313557) has the molecular formula C122H130F3N9O18 and a molecular weight of 2067.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159313557
Molecular FormulaC122H130F3N9O18
Molecular Weight2067.42 g/mol
Exact Mass2065.95
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1C(CO)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4cccc(O)c4)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc3n2C[C@H](O)CO)CC1.Cc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.Cn1c(C2CC2)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H]
InChIInChI=1S/C26H25F3N2O5.C26H30N2O5.C25H27NO3.C23H22N2O3.C22H24N2O2.H2/c1-24(4-5-24)22-9-14-8-18(17(27)11-19(14)31(22)12-16(33)13-32)30-23(34)25(6-7-25)15-2-3-20-21(10-15)36-26(28,29)35-20;1-25(2,3)23-11-16-10-18(5-6-20(16)28(23)19(13-29)14-30)27-24(31)26(8-9-26)17-4-7-21-22(12-17)33-15-32-21;1-15-18-11-16(5-7-19(18)26-23(15)24(2,3)4)12-22(27)25(9-10-25)17-6-8-20-21(13-17)29-14-28-20;1-25-18-6-5-17(10-15(18)11-19(25)14-2-3-14)24-22(26)23(8-9-23)16-4-7-20-21(12-16)28-13-27-20;1-21(2,3)19-12-14-11-16(7-8-18(14)24-19)23-20(26)22(9-10-22)15-5-4-6-17(25)13-15;/h2-3,8-11,16,32-33H,4-7,12-13H2,1H3,(H,30,34);4-7,10-12,19,29-30H,8-9,13-15H2,1-3H3,(H,27,31);5-8,11,13,26H,9-10,12,14H2,1-4H3;4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,24,26);4-8,11-13,24-25H,9-10H2,1-3H3,(H,23,26);1H/t16-;;;;;/m0...../s1
InChIKeyLCVRZBKLKKOGIH-KVDBKFDSSA-N
XLogP22.93
TPSA354.83 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.42
LogP ≤ 522.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Analyze 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159313557) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1C(CO)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4cccc(O)c4)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc3n2C[C@H](O)CO)CC1.Cc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.Cn1c(C2CC2)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is LCVRZBKLKKOGIH-KVDBKFDSSA-N. The full InChI is InChI=1S/C26H25F3N2O5.C26H30N2O5.C25H27NO3.C23H22N2O3.C22H24N2O2.H2/c1-24(4-5-24)22-9-14-8-18(17(27)11-19(14)31(22)12-16(33)13-32)30-23(34)25(6-7-25)15-2-3-20-21(10-15)36-26(28,29)35-20;1-25(2,3)23-11-16-10-18(5-6-20(16)28(23)19(13-29)14-30)27-24(31)26(8-9-26)17-4-7-21-22(12-17)33-15-32-21;1-15-18-11-16(5-7-19(18)26-23(15)24(2,3)4)12-22(27)25(9-10-25)17-6-8-20-21(13-17)29-14-28-20;1-25-18-6-5-17(10-15(18)11-19(25)14-2-3-14)24-22(26)23(8-9-23)16-4-7-20-21(12-16)28-13-27-20;1-21(2,3)19-12-14-11-16(7-8-18(14)24-19)23-20(26)22(9-10-22)15-5-4-6-17(25)13-15;/h2-3,8-11,16,32-33H,4-7,12-13H2,1H3,(H,30,34);4-7,10-12,19,29-30H,8-9,13-15H2,1-3H3,(H,27,31);5-8,11,13,26H,9-10,12,14H2,1-4H3;4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,24,26);4-8,11-13,24-25H,9-10H2,1-3H3,(H,23,26);1H/t16-;;;;;/m0...../s1.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2067.42 g/mol, XLogP of 22.93, 24 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-hydroxyphenyl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159313557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).