N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide

C115H124F2N16O6 — CID 158403155

IUPACN-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCCN)c(-c4cc(C)cc(C)c4)c3c2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(O)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1
InChIInChI=1S/C33H33FN4O2.C30H36N4O.C26H27FN4O2.C26H28N4O/c34-26-14-11-23(12-15-26)24-13-16-30-29(19-24)31(32(38-30)33(39)37-20-27(36)9-5-17-35)25-8-4-10-28(18-25)40-21-22-6-2-1-3-7-22;1-18-10-19(2)13-23(12-18)22-7-8-27-26(16-22)28(24-14-20(3)11-21(4)15-24)29(34-27)30(35)33-17-25(32)6-5-9-31;27-19-9-6-16(7-10-19)17-8-11-23-22(14-17)24(18-3-1-5-21(32)13-18)25(31-23)26(33)30-15-20(29)4-2-12-28;27-15-7-12-21(28)17-29-26(31)25-24(19-10-5-2-6-11-19)22-16-20(13-14-23(22)30-25)18-8-3-1-4-9-18/h1-4,6-8,10-16,18-19,27,38H,5,9,17,20-21,35-36H2,(H,37,39);7-8,10-16,25,34H,5-6,9,17,31-32H2,1-4H3,(H,33,35);1,3,5-11,13-14,20,31-32H,2,4,12,15,28-29H2,(H,30,33);1-6,8-11,13-14,16,21,30H,7,12,15,17,27-28H2,(H,29,31)/t27-;25-;20-;21-/m0000/s1
InChIKeyGYIUCBRYDDCCOQ-NEXUVLNGSA-N
MW1864.36 g/mol
LogP19.99
Rot. Bonds35

About N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide

N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 158403155) has the molecular formula C115H124F2N16O6 and a molecular weight of 1864.36 g/mol. Its IUPAC name is N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide
PubChem CID158403155
Molecular FormulaC115H124F2N16O6
Molecular Weight1864.36 g/mol
Exact Mass1862.99
IUPAC NameN-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCCN)c(-c4cc(C)cc(C)c4)c3c2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(O)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1
InChIInChI=1S/C33H33FN4O2.C30H36N4O.C26H27FN4O2.C26H28N4O/c34-26-14-11-23(12-15-26)24-13-16-30-29(19-24)31(32(38-30)33(39)37-20-27(36)9-5-17-35)25-8-4-10-28(18-25)40-21-22-6-2-1-3-7-22;1-18-10-19(2)13-23(12-18)22-7-8-27-26(16-22)28(24-14-20(3)11-21(4)15-24)29(34-27)30(35)33-17-25(32)6-5-9-31;27-19-9-6-16(7-10-19)17-8-11-23-22(14-17)24(18-3-1-5-21(32)13-18)25(31-23)26(33)30-15-20(29)4-2-12-28;27-15-7-12-21(28)17-29-26(31)25-24(19-10-5-2-6-11-19)22-16-20(13-14-23(22)30-25)18-8-3-1-4-9-18/h1-4,6-8,10-16,18-19,27,38H,5,9,17,20-21,35-36H2,(H,37,39);7-8,10-16,25,34H,5-6,9,17,31-32H2,1-4H3,(H,33,35);1,3,5-11,13-14,20,31-32H,2,4,12,15,28-29H2,(H,30,33);1-6,8-11,13-14,16,21,30H,7,12,15,17,27-28H2,(H,29,31)/t27-;25-;20-;21-/m0000/s1
InChIKeyGYIUCBRYDDCCOQ-NEXUVLNGSA-N
XLogP19.99
TPSA417.18 Ų
H-Bond Donors17
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.36
LogP ≤ 519.99
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1014

Analyze N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

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CID 44439836
(2S)-3-(1H-indol-3-yl)-2-[[3-[2-(1H-indol-3-yl)ethoxy]-4-[6-[3-(1H-indol-3-yl)propanoylamino]hexanoylamino]benzoyl]amino]propanoic acid
CID 129908866
(2S)-2-[[4-[[4-[2-[2-[2-[2-[[4-[4-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129908993
(2S)-2-[[4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 70685875
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162672081
(2S)-8-hydroxy-2-{[(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino}-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanamide
CID 44418012
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162652136
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 162652709
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162654695
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162659881
(3S)-3-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-3-carboxy-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-4-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxobutanoic acid
CID 162662277
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162662856

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide (CID 158403155) is N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide is Cc1cc(C)cc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCCN)c(-c4cc(C)cc(C)c4)c3c2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(O)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.
What is the InChIKey of N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is GYIUCBRYDDCCOQ-NEXUVLNGSA-N. The full InChI is InChI=1S/C33H33FN4O2.C30H36N4O.C26H27FN4O2.C26H28N4O/c34-26-14-11-23(12-15-26)24-13-16-30-29(19-24)31(32(38-30)33(39)37-20-27(36)9-5-17-35)25-8-4-10-28(18-25)40-21-22-6-2-1-3-7-22;1-18-10-19(2)13-23(12-18)22-7-8-27-26(16-22)28(24-14-20(3)11-21(4)15-24)29(34-27)30(35)33-17-25(32)6-5-9-31;27-19-9-6-16(7-10-19)17-8-11-23-22(14-17)24(18-3-1-5-21(32)13-18)25(31-23)26(33)30-15-20(29)4-2-12-28;27-15-7-12-21(28)17-29-26(31)25-24(19-10-5-2-6-11-19)22-16-20(13-14-23(22)30-25)18-8-3-1-4-9-18/h1-4,6-8,10-16,18-19,27,38H,5,9,17,20-21,35-36H2,(H,37,39);7-8,10-16,25,34H,5-6,9,17,31-32H2,1-4H3,(H,33,35);1,3,5-11,13-14,20,31-32H,2,4,12,15,28-29H2,(H,30,33);1-6,8-11,13-14,16,21,30H,7,12,15,17,27-28H2,(H,29,31)/t27-;25-;20-;21-/m0000/s1.
What are the key properties of N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 1864.36 g/mol, XLogP of 19.99, 35 rotatable bonds, 17 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 158403155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).