3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C19H20N6OS — CID 133389739

IUPAC3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3cncc(SCc4ccccc4)n3)C2=O)cn1
InChIInChI=1S/C19H20N6OS/c1-24-12-15(9-21-24)25-8-7-16(19(25)26)22-17-10-20-11-18(23-17)27-13-14-5-3-2-4-6-14/h2-6,9-12,16H,7-8,13H2,1H3,(H,22,23)
InChIKeyQRAWHHFURSNOKG-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.72
Rot. Bonds6

About 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 133389739) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID133389739
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3cncc(SCc4ccccc4)n3)C2=O)cn1
InChIInChI=1S/C19H20N6OS/c1-24-12-15(9-21-24)25-8-7-16(19(25)26)22-17-10-20-11-18(23-17)27-13-14-5-3-2-4-6-14/h2-6,9-12,16H,7-8,13H2,1H3,(H,22,23)
InChIKeyQRAWHHFURSNOKG-UHFFFAOYSA-N
XLogP2.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133389706
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
1-(1-methylpyrazol-4-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pyrrolidin-2-one
CID 133483354
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
CID 133306320
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 133389133
(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101455

Frequently Asked Questions

What is the IUPAC name of 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 133389739) is 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2CCC(Nc3cncc(SCc4ccccc4)n3)C2=O)cn1.
What is the InChIKey of 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is QRAWHHFURSNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-24-12-15(9-21-24)25-8-7-16(19(25)26)22-17-10-20-11-18(23-17)27-13-14-5-3-2-4-6-14/h2-6,9-12,16H,7-8,13H2,1H3,(H,22,23).
What are the key properties of 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 380.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 133389739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).