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

C14H16BrF2N5O — CID 86684004

IUPAC5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCN(CC(F)F)C3)c1=O
InChIInChI=1S/C14H16BrF2N5O/c1-20-6-9(15)4-11(14(20)23)18-13-5-10-7-21(8-12(16)17)2-3-22(10)19-13/h4-6,12H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyDDLSMGONLPRGBY-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.17
Rot. Bonds4

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

5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one (PubChem CID 86684004) has the molecular formula C14H16BrF2N5O and a molecular weight of 388.22 g/mol. Its IUPAC name is 5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
PubChem CID86684004
Molecular FormulaC14H16BrF2N5O
Molecular Weight388.22 g/mol
Exact Mass387.05
IUPAC Name5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCN(CC(F)F)C3)c1=O
InChIInChI=1S/C14H16BrF2N5O/c1-20-6-9(15)4-11(14(20)23)18-13-5-10-7-21(8-12(16)17)2-3-22(10)19-13/h4-6,12H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyDDLSMGONLPRGBY-UHFFFAOYSA-N
XLogP2.17
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one
CID 58043884
5-bromo-3-[(5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
CID 58043691
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
4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 67016194
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
CID 100666015
2-[4-[5-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 86684316
5-methyl-N-(2,3,6-trimethyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
CID 91573887
5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 58043923
6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]phthalazin-1-one
CID 86684042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one (CID 86684004) is 5-bromo-3-[[5-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one is Cn1cc(Br)cc(Nc2cc3n(n2)CCN(CC(F)F)C3)c1=O.
What is the InChIKey of 5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
The InChIKey is DDLSMGONLPRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N5O/c1-20-6-9(15)4-11(14(20)23)18-13-5-10-7-21(8-12(16)17)2-3-22(10)19-13/h4-6,12H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one?
5-bromo-3-[[5-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one has a molecular weight of 388.22 g/mol, XLogP of 2.17, 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-(2,2-difluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 86684004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).