4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one

C18H21ClN6OS — CID 159895367

IUPAC4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
SMILESCn1ccc(SC2=NCc3nc(N4CCC(C)(N)CC4)cnc32)c(Cl)c1=O
InChIInChI=1S/C18H21ClN6OS/c1-18(20)4-7-25(8-5-18)13-10-21-15-11(23-13)9-22-16(15)27-12-3-6-24(2)17(26)14(12)19/h3,6,10H,4-5,7-9,20H2,1-2H3
InChIKeyRMIDIHRFXOAFRA-UHFFFAOYSA-N
MW404.93 g/mol
LogP2.20
Rot. Bonds2

About 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one

4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one (PubChem CID 159895367) has the molecular formula C18H21ClN6OS and a molecular weight of 404.93 g/mol. Its IUPAC name is 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
PubChem CID159895367
Molecular FormulaC18H21ClN6OS
Molecular Weight404.93 g/mol
Exact Mass404.12
IUPAC Name4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
SMILESCn1ccc(SC2=NCc3nc(N4CCC(C)(N)CC4)cnc32)c(Cl)c1=O
InChIInChI=1S/C18H21ClN6OS/c1-18(20)4-7-25(8-5-18)13-10-21-15-11(23-13)9-22-16(15)27-12-3-6-24(2)17(26)14(12)19/h3,6,10H,4-5,7-9,20H2,1-2H3
InChIKeyRMIDIHRFXOAFRA-UHFFFAOYSA-N
XLogP2.20
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.93
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-[7-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 158932131
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-[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
1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone
CID 160932482
4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 153102974
1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 159724926
4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
CID 167638959
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
CID 157260263
6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 118248952
(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
CID 146485538
2-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-amine
CID 156701788
6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;4-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylquinazoline;4-methyl-1-(7-quinazolin-4-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)piperidin-4-amine
CID 160805318

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one?
The IUPAC name of 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) is 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one?
The canonical SMILES for 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one is Cn1ccc(SC2=NCc3nc(N4CCC(C)(N)CC4)cnc32)c(Cl)c1=O.
What is the InChIKey of 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one?
The InChIKey is RMIDIHRFXOAFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6OS/c1-18(20)4-7-25(8-5-18)13-10-21-15-11(23-13)9-22-16(15)27-12-3-6-24(2)17(26)14(12)19/h3,6,10H,4-5,7-9,20H2,1-2H3.
What are the key properties of 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one?
4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one has a molecular weight of 404.93 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 159895367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).