Akn-028

C17H14N6 — CID 44177328

IUPAC3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine
SMILESC1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4
InChIInChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)
InChIKeyJLRIJKVMMZEKDF-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.00
Rot. Bonds3

About Akn-028

Akn-028 (PubChem CID 44177328) has the molecular formula C17H14N6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine.

Molecular Properties

Compound NameAkn-028
PubChem CID44177328
Molecular FormulaC17H14N6
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine
SMILESC1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4
InChIInChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)
InChIKeyJLRIJKVMMZEKDF-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze Akn-028 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

Mavorixafor
CID 11256587
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
Pazelliptine
CID 68853
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
BN-81,644
CID 9802572
Florquinitau
CID 118577045
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100

Frequently Asked Questions

What is the IUPAC name of Akn-028?
The IUPAC name of Akn-028 (CID 44177328) is 3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine.
What is the SMILES notation for Akn-028?
The canonical SMILES for Akn-028 is C1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4.
What is the InChIKey of Akn-028?
The InChIKey is JLRIJKVMMZEKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23).
What are the key properties of Akn-028?
Akn-028 has a molecular weight of 302.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Akn-028 is sourced from PubChem (CID 44177328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).