1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone

C19H28N6OS — CID 160932482

IUPAC1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(SC2=NCc3nc(N4CCC(C)(N)CC4)cnc32)C1
InChIInChI=1S/C19H28N6OS/c1-13(26)25-7-3-4-14(12-25)27-18-17-15(10-22-18)23-16(11-21-17)24-8-5-19(2,20)6-9-24/h11,14H,3-10,12,20H2,1-2H3
InChIKeyALNCYBXWLKEYCR-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.80
Rot. Bonds2

About 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone

1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone (PubChem CID 160932482) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone
PubChem CID160932482
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(SC2=NCc3nc(N4CCC(C)(N)CC4)cnc32)C1
InChIInChI=1S/C19H28N6OS/c1-13(26)25-7-3-4-14(12-25)27-18-17-15(10-22-18)23-16(11-21-17)24-8-5-19(2,20)6-9-24/h11,14H,3-10,12,20H2,1-2H3
InChIKeyALNCYBXWLKEYCR-UHFFFAOYSA-N
XLogP1.80
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
CID 159895367
1-[(3R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]sulfanylpiperidin-1-yl]ethanone
CID 71628979
4-methyl-1-[7-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 158932131
4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 153102974
1-[(3R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]sulfanylpyrrolidin-1-yl]ethanone
CID 71628940
1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 162221833
4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine
CID 135388644
1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 158062876
1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824949
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110254201
1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)sulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(2,3-dichlorophenyl)sulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 158142766

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone (CID 160932482) is 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(SC2=NCc3nc(N4CCC(C)(N)CC4)cnc32)C1.
What is the InChIKey of 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone?
The InChIKey is ALNCYBXWLKEYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-13(26)25-7-3-4-14(12-25)27-18-17-15(10-22-18)23-16(11-21-17)24-8-5-19(2,20)6-9-24/h11,14H,3-10,12,20H2,1-2H3.
What are the key properties of 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone?
1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone has a molecular weight of 388.54 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160932482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).