4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine

C23H24N6S — CID 155796507

IUPAC4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
SMILESCC1(CCN(CC1)C2=NC3=NC=C(N=C3N2)SC4=CC=CC(=C4)C5=CC=CC=C5)N
InChIInChI=1S/C23H24N6S/c1-23(24)10-12-29(13-11-23)22-27-20-21(28-22)26-19(15-25-20)30-18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14-15H,10-13,24H2,1H3,(H,25,26,27,28)
InChIKeyYTXHNSXRCNVPFL-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.30
Rot. Bonds4

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

4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine (PubChem CID 155796507) has the molecular formula C23H24N6S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
PubChem CID155796507
Molecular FormulaC23H24N6S
Molecular Weight416.50 g/mol
Exact Mass416.18
IUPAC Name4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
SMILESCC1(CCN(CC1)C2=NC3=NC=C(N=C3N2)SC4=CC=CC(=C4)C5=CC=CC=C5)N
InChIInChI=1S/C23H24N6S/c1-23(24)10-12-29(13-11-23)22-27-20-21(28-22)26-19(15-25-20)30-18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14-15H,10-13,24H2,1H3,(H,25,26,27,28)
InChIKeyYTXHNSXRCNVPFL-UHFFFAOYSA-N
XLogP4.30
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity562

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine with MolForge

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-naphthalen-1-ylsulfanylpyrazin-2-amine
CID 168269047
6-(4-Amino-4-methylpiperidin-1-yl)-3-naphthalen-2-ylsulfanylpyrazin-2-amine
CID 168274726
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
1-[5-(2,3-dimethylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine (CID 155796507) is 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine is CC1(CCN(CC1)C2=NC3=NC=C(N=C3N2)SC4=CC=CC(=C4)C5=CC=CC=C5)N.
What is the InChIKey of 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is YTXHNSXRCNVPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6S/c1-23(24)10-12-29(13-11-23)22-27-20-21(28-22)26-19(15-25-20)30-18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14-15H,10-13,24H2,1H3,(H,25,26,27,28).
What are the key properties of 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 416.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(3-phenylphenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 155796507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).