5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C21H25N5S — CID 133389632

IUPAC5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1C)CCN(c1cncc(SCc3ccccc3)n1)C2
InChIInChI=1S/C21H25N5S/c1-15(2)21-23-17-13-26(10-9-18(17)25(21)3)19-11-22-12-20(24-19)27-14-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10,13-14H2,1-3H3
InChIKeyFUWLTSHAJCGVHH-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.19
Rot. Bonds5

About 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 133389632) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID133389632
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1C)CCN(c1cncc(SCc3ccccc3)n1)C2
InChIInChI=1S/C21H25N5S/c1-15(2)21-23-17-13-26(10-9-18(17)25(21)3)19-11-22-12-20(24-19)27-14-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10,13-14H2,1-3H3
InChIKeyFUWLTSHAJCGVHH-UHFFFAOYSA-N
XLogP4.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 133389632) is 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)c1nc2c(n1C)CCN(c1cncc(SCc3ccccc3)n1)C2.
What is the InChIKey of 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is FUWLTSHAJCGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-15(2)21-23-17-13-26(10-9-18(17)25(21)3)19-11-22-12-20(24-19)27-14-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10,13-14H2,1-3H3.
What are the key properties of 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 379.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 133389632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).