3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine

C21H19N7O2S — CID 66745302

IUPAC3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
SMILESNc1ncc(C2=CCN(S(=O)(=O)c3cccnc3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H19N7O2S/c22-20-19(21-26-16-5-1-2-6-17(16)27-21)25-18(13-24-20)14-7-10-28(11-8-14)31(29,30)15-4-3-9-23-12-15/h1-7,9,12-13H,8,10-11H2,(H2,22,24)(H,26,27)
InChIKeyXEFFDEDWDYHRBO-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.48
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine

3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine (PubChem CID 66745302) has the molecular formula C21H19N7O2S and a molecular weight of 433.50 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
PubChem CID66745302
Molecular FormulaC21H19N7O2S
Molecular Weight433.50 g/mol
Exact Mass433.13
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
SMILESNc1ncc(C2=CCN(S(=O)(=O)c3cccnc3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H19N7O2S/c22-20-19(21-26-16-5-1-2-6-17(16)27-21)25-18(13-24-20)14-7-10-28(11-8-14)31(29,30)15-4-3-9-23-12-15/h1-7,9,12-13H,8,10-11H2,(H2,22,24)(H,26,27)
InChIKeyXEFFDEDWDYHRBO-UHFFFAOYSA-N
XLogP2.48
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine 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-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
DB-02197
CID 5288527
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3e
CID 6539028
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
2-(1H-imidazo[4,5-c]pyridin-2-yl)quinoxaline
CID 11536096
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-Methyl-3-(9h-Purin-6-Ylamino)benzenesulfonamide
CID 54675470
4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
CID 137643315

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine (CID 66745302) is 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine is Nc1ncc(C2=CCN(S(=O)(=O)c3cccnc3)CC2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
The InChIKey is XEFFDEDWDYHRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2S/c22-20-19(21-26-16-5-1-2-6-17(16)27-21)25-18(13-24-20)14-7-10-28(11-8-14)31(29,30)15-4-3-9-23-12-15/h1-7,9,12-13H,8,10-11H2,(H2,22,24)(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine has a molecular weight of 433.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 66745302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).