1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one

C21H20N8O — CID 129189251

IUPAC1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESCc1nn(N)c2ncc(-c3cncc(Nc4cccc(N5CCCC5=O)c4)n3)cc12
InChIInChI=1S/C21H20N8O/c1-13-17-8-14(10-24-21(17)29(22)27-13)18-11-23-12-19(26-18)25-15-4-2-5-16(9-15)28-7-3-6-20(28)30/h2,4-5,8-12H,3,6-7,22H2,1H3,(H,25,26)
InChIKeySYYRWSUPIYDHHS-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.78
Rot. Bonds4

About 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one

1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one (PubChem CID 129189251) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one
PubChem CID129189251
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESCc1nn(N)c2ncc(-c3cncc(Nc4cccc(N5CCCC5=O)c4)n3)cc12
InChIInChI=1S/C21H20N8O/c1-13-17-8-14(10-24-21(17)29(22)27-13)18-11-23-12-19(26-18)25-15-4-2-5-16(9-15)28-7-3-6-20(28)30/h2,4-5,8-12H,3,6-7,22H2,1H3,(H,25,26)
InChIKeySYYRWSUPIYDHHS-UHFFFAOYSA-N
XLogP2.78
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
CID 70901098
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile
CID 133418227
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 27832237
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
CID 133284309
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one (CID 129189251) is 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one is Cc1nn(N)c2ncc(-c3cncc(Nc4cccc(N5CCCC5=O)c4)n3)cc12.
What is the InChIKey of 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is SYYRWSUPIYDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-13-17-8-14(10-24-21(17)29(22)27-13)18-11-23-12-19(26-18)25-15-4-2-5-16(9-15)28-7-3-6-20(28)30/h2,4-5,8-12H,3,6-7,22H2,1H3,(H,25,26).
What are the key properties of 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one?
1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 400.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(1-amino-3-methylpyrazolo[5,4-b]pyridin-5-yl)pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 129189251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).