2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium

C23H31ClN7O2+ — CID 58398776

IUPAC2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium
SMILESC[N+](C)(CCCCC(=O)Cc1c[nH]c2ccccc12)CCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C23H30ClN7O2/c1-31(2,12-10-27-23(33)19-21(25)30-22(26)20(24)29-19)11-6-5-7-16(32)13-15-14-28-18-9-4-3-8-17(15)18/h3-4,8-9,14,28H,5-7,10-13H2,1-2H3,(H4-,25,26,27,30,33)/p+1
InChIKeySDUJXBHNGHYXBP-UHFFFAOYSA-O
MW473.00 g/mol
LogP2.56
Rot. Bonds11

About 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium

2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium (PubChem CID 58398776) has the molecular formula C23H31ClN7O2+ and a molecular weight of 473.00 g/mol. Its IUPAC name is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium.

Molecular Properties

Compound Name2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium
PubChem CID58398776
Molecular FormulaC23H31ClN7O2+
Molecular Weight473.00 g/mol
Exact Mass472.22
IUPAC Name2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium
SMILESC[N+](C)(CCCCC(=O)Cc1c[nH]c2ccccc12)CCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C23H30ClN7O2/c1-31(2,12-10-27-23(33)19-21(25)30-22(26)20(24)29-19)11-6-5-7-16(32)13-15-14-28-18-9-4-3-8-17(15)18/h3-4,8-9,14,28H,5-7,10-13H2,1-2H3,(H4-,25,26,27,30,33)/p+1
InChIKeySDUJXBHNGHYXBP-UHFFFAOYSA-O
XLogP2.56
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?
The IUPAC name of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium (CID 58398776) is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium.
What is the SMILES notation for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?
The canonical SMILES for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium is C[N+](C)(CCCCC(=O)Cc1c[nH]c2ccccc12)CCNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?
The InChIKey is SDUJXBHNGHYXBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30ClN7O2/c1-31(2,12-10-27-23(33)19-21(25)30-22(26)20(24)29-19)11-6-5-7-16(32)13-15-14-28-18-9-4-3-8-17(15)18/h3-4,8-9,14,28H,5-7,10-13H2,1-2H3,(H4-,25,26,27,30,33)/p+1.
What are the key properties of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?
2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium has a molecular weight of 473.00 g/mol, XLogP of 2.56, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium is sourced from PubChem (CID 58398776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).