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

C14H17BrFN5O — CID 90136146

IUPAC5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCN(CCF)C3)c1=O
InChIInChI=1S/C14H17BrFN5O/c1-19-8-10(15)6-12(14(19)22)17-13-7-11-9-20(3-2-16)4-5-21(11)18-13/h6-8H,2-5,9H2,1H3,(H,17,18)
InChIKeyKKJYBIIWSKFLCQ-UHFFFAOYSA-N
MW370.23 g/mol
LogP1.87
Rot. Bonds4

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

5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one (PubChem CID 90136146) has the molecular formula C14H17BrFN5O and a molecular weight of 370.23 g/mol. Its IUPAC name is 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
PubChem CID90136146
Molecular FormulaC14H17BrFN5O
Molecular Weight370.23 g/mol
Exact Mass369.06
IUPAC Name5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCN(CCF)C3)c1=O
InChIInChI=1S/C14H17BrFN5O/c1-19-8-10(15)6-12(14(19)22)17-13-7-11-9-20(3-2-16)4-5-21(11)18-13/h6-8H,2-5,9H2,1H3,(H,17,18)
InChIKeyKKJYBIIWSKFLCQ-UHFFFAOYSA-N
XLogP1.87
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one
CID 164637384
5-Bromo-1-methyl-3-(5-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2(1H)-one
CID 86683998
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(5-(2,2,2-trifluoro-ethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2(1H)-one
CID 86684000
5-Bromo-3-(5-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-1-methylpyridin-2(1H)-one
CID 86684004
3-(5-(2,2-Difluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 86684006
5-Bromo-3-(5-((3,3-difluoroazetidin-1-yl)methyl)-1-methyl-1H-pyrazol-3-ylamino)-1-methylpyridin-2(1H)-one
CID 123567058
1-(1,5-Dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one
CID 137449618
3-Amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one
CID 137450736
3-Amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one
CID 137450737
1-(1,5-Dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one
CID 137457464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one (CID 90136146) is 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one is Cn1cc(Br)cc(Nc2cc3n(n2)CCN(CCF)C3)c1=O.
What is the InChIKey of 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
The InChIKey is KKJYBIIWSKFLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN5O/c1-19-8-10(15)6-12(14(19)22)17-13-7-11-9-20(3-2-16)4-5-21(11)18-13/h6-8H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one has a molecular weight of 370.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 90136146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).