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

C14H15BrF3N5O — CID 86683998

IUPAC5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCN(CC(F)(F)F)C3)c1=O
InChIInChI=1S/C14H15BrF3N5O/c1-21-6-9(15)4-11(13(21)24)19-12-5-10-7-22(8-14(16,17)18)2-3-23(10)20-12/h4-6H,2-3,7-8H2,1H3,(H,19,20)
InChIKeyXDDFNYDHSZRNEO-UHFFFAOYSA-N
MW406.21 g/mol
LogP2.47
Rot. Bonds3

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

5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one (PubChem CID 86683998) has the molecular formula C14H15BrF3N5O and a molecular weight of 406.21 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one
PubChem CID86683998
Molecular FormulaC14H15BrF3N5O
Molecular Weight406.21 g/mol
Exact Mass405.04
IUPAC Name5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCN(CC(F)(F)F)C3)c1=O
InChIInChI=1S/C14H15BrF3N5O/c1-21-6-9(15)4-11(13(21)24)19-12-5-10-7-22(8-14(16,17)18)2-3-23(10)20-12/h4-6H,2-3,7-8H2,1H3,(H,19,20)
InChIKeyXDDFNYDHSZRNEO-UHFFFAOYSA-N
XLogP2.47
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-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-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one (CID 86683998) is 5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-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-(2,2,2-trifluoroethyl)-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-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one is Cn1cc(Br)cc(Nc2cc3n(n2)CCN(CC(F)(F)F)C3)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one?
The InChIKey is XDDFNYDHSZRNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3N5O/c1-21-6-9(15)4-11(13(21)24)19-12-5-10-7-22(8-14(16,17)18)2-3-23(10)20-12/h4-6H,2-3,7-8H2,1H3,(H,19,20).
What are the key properties of 5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one?
5-bromo-1-methyl-3-[[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one has a molecular weight of 406.21 g/mol, XLogP of 2.47, 3 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-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 86683998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).