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

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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).