4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one

C20H19N5O — CID 11221666

IUPAC4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
SMILESCCc1cnn2c(NCc3cc[nH]c(=O)c3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O/c1-2-15-13-23-25-18(22-12-14-8-9-21-19(26)10-14)11-17(24-20(15)25)16-6-4-3-5-7-16/h3-11,13,22H,2,12H2,1H3,(H,21,26)
InChIKeyJQKHJIWHZCJHTM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.26
Rot. Bonds5

About 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one

4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 11221666) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID11221666
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
SMILESCCc1cnn2c(NCc3cc[nH]c(=O)c3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O/c1-2-15-13-23-25-18(22-12-14-8-9-21-19(26)10-14)11-17(24-20(15)25)16-6-4-3-5-7-16/h3-11,13,22H,2,12H2,1H3,(H,21,26)
InChIKeyJQKHJIWHZCJHTM-UHFFFAOYSA-N
XLogP3.26
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (CID 11221666) is 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is CCc1cnn2c(NCc3cc[nH]c(=O)c3)cc(-c3ccccc3)nc12.
What is the InChIKey of 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is JQKHJIWHZCJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-15-13-23-25-18(22-12-14-8-9-21-19(26)10-14)11-17(24-20(15)25)16-6-4-3-5-7-16/h3-11,13,22H,2,12H2,1H3,(H,21,26).
What are the key properties of 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 345.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 11221666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).