[3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride

C68H90ClN11O6 — CID 157133853

IUPAC[3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride
SMILESCN(C)CCCn1ccc2cc(C(=O)N3CCC(=O)C3)ccc21.CN(C)CCCn1ccc2cc(C(=O)N3CCC(NCc4ccccc4)C3)ccc21.CN(C)CCCn1ccc2cc(C(=O)O)ccc21.Cl.NCc1ccccc1.O=C1CCNC1
InChIInChI=1S/C25H32N4O.C18H23N3O2.C14H18N2O2.C7H9N.C4H7NO.ClH/c1-27(2)13-6-14-28-15-11-21-17-22(9-10-24(21)28)25(30)29-16-12-23(19-29)26-18-20-7-4-3-5-8-20;1-19(2)8-3-9-20-10-6-14-12-15(4-5-17(14)20)18(23)21-11-7-16(22)13-21;1-15(2)7-3-8-16-9-6-11-10-12(14(17)18)4-5-13(11)16;8-6-7-4-2-1-3-5-7;6-4-1-2-5-3-4;/h3-5,7-11,15,17,23,26H,6,12-14,16,18-19H2,1-2H3;4-6,10,12H,3,7-9,11,13H2,1-2H3;4-6,9-10H,3,7-8H2,1-2H3,(H,17,18);1-5H,6,8H2;5H,1-3H2;1H
InChIKeyQQFZKJZHIZJSKV-UHFFFAOYSA-N
MW1192.99 g/mol
LogP9.01
Rot. Bonds19

About [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride

[3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride (PubChem CID 157133853) has the molecular formula C68H90ClN11O6 and a molecular weight of 1192.99 g/mol. Its IUPAC name is [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name[3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride
PubChem CID157133853
Molecular FormulaC68H90ClN11O6
Molecular Weight1192.99 g/mol
Exact Mass1191.68
IUPAC Name[3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride
SMILESCN(C)CCCn1ccc2cc(C(=O)N3CCC(=O)C3)ccc21.CN(C)CCCn1ccc2cc(C(=O)N3CCC(NCc4ccccc4)C3)ccc21.CN(C)CCCn1ccc2cc(C(=O)O)ccc21.Cl.NCc1ccccc1.O=C1CCNC1
InChIInChI=1S/C25H32N4O.C18H23N3O2.C14H18N2O2.C7H9N.C4H7NO.ClH/c1-27(2)13-6-14-28-15-11-21-17-22(9-10-24(21)28)25(30)29-16-12-23(19-29)26-18-20-7-4-3-5-8-20;1-19(2)8-3-9-20-10-6-14-12-15(4-5-17(14)20)18(23)21-11-7-16(22)13-21;1-15(2)7-3-8-16-9-6-11-10-12(14(17)18)4-5-13(11)16;8-6-7-4-2-1-3-5-7;6-4-1-2-5-3-4;/h3-5,7-11,15,17,23,26H,6,12-14,16,18-19H2,1-2H3;4-6,10,12H,3,7-9,11,13H2,1-2H3;4-6,9-10H,3,7-8H2,1-2H3,(H,17,18);1-5H,6,8H2;5H,1-3H2;1H
InChIKeyQQFZKJZHIZJSKV-UHFFFAOYSA-N
XLogP9.01
TPSA186.65 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.99
LogP ≤ 59.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-[[(2S)-1-(1H-indol-3-yl)-3-[4-[4-[1-[(2S)-3-(1H-indol-3-yl)-2-[[1-(4-oxalophenyl)triazole-4-carbonyl]amino]propyl]triazol-4-yl]phenyl]triazol-1-yl]propan-2-yl]carbamoyl]triazol-1-yl]phenyl]-2-oxoacetic acid
CID 16186374
3-[4-[3-[2-(methylamino)ethyl]indol-1-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-5-carboxylic acid
CID 44453259
2-[4-[4-[[(2S)-1-(1H-indol-3-yl)-3-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-2-[[1-(4-oxalophenyl)triazole-4-carbonyl]amino]propyl]triazol-4-yl]phenyl]triazol-1-yl]propan-2-yl]carbamoyl]triazol-1-yl]phenyl]-2-oxoacetic acid
CID 44422025
(2R)-2-[[4-[[3,5-bis[[1-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-7-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]benzoyl]amino]-7-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 145949033
2-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]ethylcarbamoyl]-3-methyl-1H-indole-5-carboxylic acid;hydrochloride
CID 53358911
4-[[3-[2-Carboxy-2-[3-[3-[3-[[1-carboxy-2-[1-[(4-carboxyphenyl)methyl]indol-3-yl]ethyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1-carboxy-2-[1-[(4-carboxyphenyl)methyl]indol-3-yl]ethyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]ethyl]indol-1-yl]methyl]benzoic acid
CID 155551310
(2S)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129901230
methyl (2S)-3-(4-hydroxyphenyl)-2-[[1-[2-[1-[3-[3-[2-[(2S)-2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]propyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129901231
(2R)-2-[[4-[[3,5-bis[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]benzoyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129903472
methyl (2S)-3-(1H-indol-3-yl)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905483
methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[2-[1-[[4-[[3-[2-[(2R)-2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905484
(2S)-2-[[(2R)-1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 129905511

Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride?
The IUPAC name of [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride (CID 157133853) is [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride.
What is the SMILES notation for [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride?
The canonical SMILES for [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride is CN(C)CCCn1ccc2cc(C(=O)N3CCC(=O)C3)ccc21.CN(C)CCCn1ccc2cc(C(=O)N3CCC(NCc4ccccc4)C3)ccc21.CN(C)CCCn1ccc2cc(C(=O)O)ccc21.Cl.NCc1ccccc1.O=C1CCNC1.
What is the InChIKey of [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride?
The InChIKey is QQFZKJZHIZJSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O.C18H23N3O2.C14H18N2O2.C7H9N.C4H7NO.ClH/c1-27(2)13-6-14-28-15-11-21-17-22(9-10-24(21)28)25(30)29-16-12-23(19-29)26-18-20-7-4-3-5-8-20;1-19(2)8-3-9-20-10-6-14-12-15(4-5-17(14)20)18(23)21-11-7-16(22)13-21;1-15(2)7-3-8-16-9-6-11-10-12(14(17)18)4-5-13(11)16;8-6-7-4-2-1-3-5-7;6-4-1-2-5-3-4;/h3-5,7-11,15,17,23,26H,6,12-14,16,18-19H2,1-2H3;4-6,10,12H,3,7-9,11,13H2,1-2H3;4-6,9-10H,3,7-8H2,1-2H3,(H,17,18);1-5H,6,8H2;5H,1-3H2;1H.
What are the key properties of [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride?
[3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride has a molecular weight of 1192.99 g/mol, XLogP of 9.01, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 157133853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).