4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one

C16H20N6O — CID 70806570

IUPAC4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(CC)c(=O)c3)cc(N)nc12
InChIInChI=1S/C16H20N6O/c1-3-12-10-19-22-14(8-13(17)20-16(12)22)18-9-11-5-6-21(4-2)15(23)7-11/h5-8,10,18H,3-4,9H2,1-2H3,(H2,17,20)
InChIKeyTYKKZNKXNVOQJK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.67
Rot. Bonds5

About 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one

4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one (PubChem CID 70806570) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one
PubChem CID70806570
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(CC)c(=O)c3)cc(N)nc12
InChIInChI=1S/C16H20N6O/c1-3-12-10-19-22-14(8-13(17)20-16(12)22)18-9-11-5-6-21(4-2)15(23)7-11/h5-8,10,18H,3-4,9H2,1-2H3,(H2,17,20)
InChIKeyTYKKZNKXNVOQJK-UHFFFAOYSA-N
XLogP1.67
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one?
The IUPAC name of 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one (CID 70806570) is 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one is CCc1cnn2c(NCc3ccn(CC)c(=O)c3)cc(N)nc12.
What is the InChIKey of 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one?
The InChIKey is TYKKZNKXNVOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-12-10-19-22-14(8-13(17)20-16(12)22)18-9-11-5-6-21(4-2)15(23)7-11/h5-8,10,18H,3-4,9H2,1-2H3,(H2,17,20).
What are the key properties of 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one?
4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one has a molecular weight of 312.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-amino-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 70806570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).