1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

C18H20Cl2N6S — CID 155796661

IUPAC1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCc1nc2[nH]c(N3CCC(C)(N)CC3)nc2nc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N6S/c1-10-16(27-12-5-3-4-11(19)13(12)20)23-15-14(22-10)24-17(25-15)26-8-6-18(2,21)7-9-26/h3-5H,6-9,21H2,1-2H3,(H,22,23,24,25)
InChIKeyLBLCHLWPLSITLN-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.44
Rot. Bonds3

About 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 155796661) has the molecular formula C18H20Cl2N6S and a molecular weight of 423.37 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID155796661
Molecular FormulaC18H20Cl2N6S
Molecular Weight423.37 g/mol
Exact Mass422.08
IUPAC Name1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCc1nc2[nH]c(N3CCC(C)(N)CC3)nc2nc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N6S/c1-10-16(27-12-5-3-4-11(19)13(12)20)23-15-14(22-10)24-17(25-15)26-8-6-18(2,21)7-9-26/h3-5H,6-9,21H2,1-2H3,(H,22,23,24,25)
InChIKeyLBLCHLWPLSITLN-UHFFFAOYSA-N
XLogP4.44
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 155796661) is 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is Cc1nc2[nH]c(N3CCC(C)(N)CC3)nc2nc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is LBLCHLWPLSITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N6S/c1-10-16(27-12-5-3-4-11(19)13(12)20)23-15-14(22-10)24-17(25-15)26-8-6-18(2,21)7-9-26/h3-5H,6-9,21H2,1-2H3,(H,22,23,24,25).
What are the key properties of 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 423.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 155796661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).