4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one

C17H20N6O2 — CID 90104177

IUPAC4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(Nc2nc(C3CCC3)nc3cn[nH]c23)cc1=O
InChIInChI=1S/C17H20N6O2/c1-25-8-7-23-6-5-12(9-14(23)24)19-17-15-13(10-18-22-15)20-16(21-17)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyYZBBYOCFTAWKNY-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.17
Rot. Bonds6

About 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one

4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 90104177) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID90104177
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(Nc2nc(C3CCC3)nc3cn[nH]c23)cc1=O
InChIInChI=1S/C17H20N6O2/c1-25-8-7-23-6-5-12(9-14(23)24)19-17-15-13(10-18-22-15)20-16(21-17)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyYZBBYOCFTAWKNY-UHFFFAOYSA-N
XLogP2.17
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one (CID 90104177) is 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one is COCCn1ccc(Nc2nc(C3CCC3)nc3cn[nH]c23)cc1=O.
What is the InChIKey of 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is YZBBYOCFTAWKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-25-8-7-23-6-5-12(9-14(23)24)19-17-15-13(10-18-22-15)20-16(21-17)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one?
4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 340.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 90104177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).