5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one

C13H16BrN5O — CID 58043884

IUPAC5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one
SMILESCN1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1
InChIInChI=1S/C13H16BrN5O/c1-17-3-4-19-10(8-17)6-12(16-19)15-11-5-9(14)7-18(2)13(11)20/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyRVSVATSBUNEOHW-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.53
Rot. Bonds2

About 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one

5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one (PubChem CID 58043884) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one
PubChem CID58043884
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one
SMILESCN1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1
InChIInChI=1S/C13H16BrN5O/c1-17-3-4-19-10(8-17)6-12(16-19)15-11-5-9(14)7-18(2)13(11)20/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyRVSVATSBUNEOHW-UHFFFAOYSA-N
XLogP1.53
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-[(5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
CID 58043691
5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
CID 86684004
5-methyl-N-(2,3,6-trimethyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
CID 91573887
3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
CID 172717922
1-methyl-3-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 86684041
1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
CID 142720033
2-[5-fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 54596582
6-[3-(1-benzothiophen-6-yl)-6-fluoro-2-methylphenyl]-2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridazin-3-one
CID 134346893
5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 58043923
5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one
CID 141274032
[4-fluoro-2-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate
CID 67016300
5-bromo-1-methyl-3-[[5-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 86683713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one (CID 58043884) is 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one is CN1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1.
What is the InChIKey of 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one?
The InChIKey is RVSVATSBUNEOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-17-3-4-19-10(8-17)6-12(16-19)15-11-5-9(14)7-18(2)13(11)20/h5-7H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one?
5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one has a molecular weight of 338.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one is sourced from PubChem (CID 58043884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).