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

C19H24N6S — CID 155796514

IUPAC1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCc1cccc(Sc2cnc3nc(N4CCC(C)(N)CC4)[nH]c3n2)c1C
InChIInChI=1S/C19H24N6S/c1-12-5-4-6-14(13(12)2)26-15-11-21-16-17(22-15)24-18(23-16)25-9-7-19(3,20)8-10-25/h4-6,11H,7-10,20H2,1-3H3,(H,21,22,23,24)
InChIKeyQYLVHBAXQHZUGH-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.44
Rot. Bonds3

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

1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 155796514) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID155796514
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCc1cccc(Sc2cnc3nc(N4CCC(C)(N)CC4)[nH]c3n2)c1C
InChIInChI=1S/C19H24N6S/c1-12-5-4-6-14(13(12)2)26-15-11-21-16-17(22-15)24-18(23-16)25-9-7-19(3,20)8-10-25/h4-6,11H,7-10,20H2,1-3H3,(H,21,22,23,24)
InChIKeyQYLVHBAXQHZUGH-UHFFFAOYSA-N
XLogP3.44
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-naphthalen-1-ylsulfanylpyrazin-2-amine
CID 168269047
4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796503
1-[5-(2,4-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796521
1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796607
1-[5-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796692
4-[[2-(4-amino-4-methylpiperidin-1-yl)-3H-imidazo[4,5-b]pyrazin-5-yl]sulfanyl]-3-(trifluoromethyl)benzonitrile
CID 155796697
4-methyl-1-[5-[2-(pentafluoro-lambda6-sulfanyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 165153652
4-methyl-1-[5-[3-(pentafluoro-lambda6-sulfanyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 165153672
1-[5-(4-chloro-2-methylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796496
7-[[2-(4-amino-4-methylpiperidin-1-yl)-3H-imidazo[4,5-b]pyrazin-5-yl]sulfanyl]-2,3-dihydroinden-1-one
CID 155796497
4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796507
4-methyl-1-[5-(2-methylsulfonylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796519

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 155796514) is 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is Cc1cccc(Sc2cnc3nc(N4CCC(C)(N)CC4)[nH]c3n2)c1C.
What is the InChIKey of 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is QYLVHBAXQHZUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-12-5-4-6-14(13(12)2)26-15-11-21-16-17(22-15)24-18(23-16)25-9-7-19(3,20)8-10-25/h4-6,11H,7-10,20H2,1-3H3,(H,21,22,23,24).
What are the key properties of 1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.44, 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-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 155796514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).