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

C14H18BrN5O — CID 58043918

IUPAC5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
SMILESCCN1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1
InChIInChI=1S/C14H18BrN5O/c1-3-19-4-5-20-11(9-19)7-13(17-20)16-12-6-10(15)8-18(2)14(12)21/h6-8H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyWTFVNACKLSFYMX-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.92
Rot. Bonds3

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

5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one (PubChem CID 58043918) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
PubChem CID58043918
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
SMILESCCN1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1
InChIInChI=1S/C14H18BrN5O/c1-3-19-4-5-20-11(9-19)7-13(17-20)16-12-6-10(15)8-18(2)14(12)21/h6-8H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyWTFVNACKLSFYMX-UHFFFAOYSA-N
XLogP1.92
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one (CID 58043918) is 5-bromo-3-[(5-ethyl-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-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one is CCN1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1.
What is the InChIKey of 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
The InChIKey is WTFVNACKLSFYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-3-19-4-5-20-11(9-19)7-13(17-20)16-12-6-10(15)8-18(2)14(12)21/h6-8H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one has a molecular weight of 352.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 58043918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).