6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide

C128H160N24O7 — CID 158533190

IUPAC6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.COc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.NCCC[C@@H](N)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C24H32N4O.C21H26N4O2.3C21H26N4O.C20H24N4O/c1-24(2,3)19-10-8-16(9-11-19)17-6-7-18-14-22(28-21(18)13-17)23(29)27-15-20(26)5-4-12-25;1-27-18-8-6-14(7-9-18)15-4-5-16-12-20(25-19(16)11-15)21(26)24-13-17(23)3-2-10-22;3*1-14-4-6-15(7-5-14)16-8-9-17-12-20(25-19(17)11-16)21(26)24-13-18(23)3-2-10-22;21-10-4-7-17(22)13-23-20(25)19-12-16-9-8-15(11-18(16)24-19)14-5-2-1-3-6-14/h6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);4-9,11-12,17,25H,2-3,10,13,22-23H2,1H3,(H,24,26);3*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);1-3,5-6,8-9,11-12,17,24H,4,7,10,13,21-22H2,(H,23,25)/t20-;17-;3*18-;17-/m001111/s1
InChIKeyHNQAEXFVOJGQDM-QDZGAIMUSA-N
MW2146.85 g/mol
LogP18.02
Rot. Bonds43

About 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide

6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide (PubChem CID 158533190) has the molecular formula C128H160N24O7 and a molecular weight of 2146.85 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide
PubChem CID158533190
Molecular FormulaC128H160N24O7
Molecular Weight2146.85 g/mol
Exact Mass2145.29
IUPAC Name6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.COc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.NCCC[C@@H](N)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C24H32N4O.C21H26N4O2.3C21H26N4O.C20H24N4O/c1-24(2,3)19-10-8-16(9-11-19)17-6-7-18-14-22(28-21(18)13-17)23(29)27-15-20(26)5-4-12-25;1-27-18-8-6-14(7-9-18)15-4-5-16-12-20(25-19(16)11-15)21(26)24-13-17(23)3-2-10-22;3*1-14-4-6-15(7-5-14)16-8-9-17-12-20(25-19(17)11-16)21(26)24-13-18(23)3-2-10-22;21-10-4-7-17(22)13-23-20(25)19-12-16-9-8-15(11-18(16)24-19)14-5-2-1-3-6-14/h6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);4-9,11-12,17,25H,2-3,10,13,22-23H2,1H3,(H,24,26);3*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);1-3,5-6,8-9,11-12,17,24H,4,7,10,13,21-22H2,(H,23,25)/t20-;17-;3*18-;17-/m001111/s1
InChIKeyHNQAEXFVOJGQDM-QDZGAIMUSA-N
XLogP18.02
TPSA590.81 Ų
H-Bond Donors24
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002146.85
LogP ≤ 518.02
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1019

Analyze 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57395115
(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57398637
N-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 127037887
6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
CID 164622397
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,38-nonaoxo-4,10,13,16,22,25,28,31,37-nonazatetracyclo[37.2.2.06,10.018,22]tritetraconta-1(42),39(43),40-triene-3-carboxamide
CID 166611960
1-{[({[2-(3-methoxyphenyl)ethyl]carbamoyl}methyl)[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)methyl]carbamoyl]methyl}-N-[(1S,2S)-2-[(1-{[({[2-(3-methoxyphenyl)ethyl]carbamoyl}methyl)[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)methyl]carbamoyl]methyl}-1H-indole-2-)amido]cyclohexyl]-1H-indole-2-carboxamide
CID 24860334
1-{[({[2-(4-methoxyphenyl)ethyl]carbamoyl}methyl)({[(2-phenylcyclopropyl)carbamoyl]methyl})carbamoyl]methyl}-N-[(1S,2S)-2-[(1-{[({[2-(4-methoxyphenyl)ethyl]carbamoyl}methyl)({[(2-phenylcyclopropyl)carbamoyl]methyl})carbamoyl]methyl}-1H-indole-2-)amido]cyclohexyl]-1H-indole-2-carboxamide
CID 24860333
1H-Indole-2-carboxylic acid [3,3-bis-(4-methoxy-phenyl)-allyl]-amide
CID 44265970
1-[2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]amino]-2-oxoethyl]-N-[(1S,2S)-2-[[1-[2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]amino]-2-oxoethyl]indole-2-carbonyl]amino]cyclohexyl]indole-2-carboxamide
CID 44450236
(6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57393390
(5-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57400307
CID 145954034
CID 145954034

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide (CID 158533190) is 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide is CC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.COc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.NCCC[C@@H](N)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide?
The InChIKey is HNQAEXFVOJGQDM-QDZGAIMUSA-N. The full InChI is InChI=1S/C24H32N4O.C21H26N4O2.3C21H26N4O.C20H24N4O/c1-24(2,3)19-10-8-16(9-11-19)17-6-7-18-14-22(28-21(18)13-17)23(29)27-15-20(26)5-4-12-25;1-27-18-8-6-14(7-9-18)15-4-5-16-12-20(25-19(16)11-15)21(26)24-13-17(23)3-2-10-22;3*1-14-4-6-15(7-5-14)16-8-9-17-12-20(25-19(17)11-16)21(26)24-13-18(23)3-2-10-22;21-10-4-7-17(22)13-23-20(25)19-12-16-9-8-15(11-18(16)24-19)14-5-2-1-3-6-14/h6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);4-9,11-12,17,25H,2-3,10,13,22-23H2,1H3,(H,24,26);3*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);1-3,5-6,8-9,11-12,17,24H,4,7,10,13,21-22H2,(H,23,25)/t20-;17-;3*18-;17-/m001111/s1.
What are the key properties of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide?
6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide has a molecular weight of 2146.85 g/mol, XLogP of 18.02, 43 rotatable bonds, 24 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;tris(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 158533190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).