4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one

C14H14N6O — CID 90104754

IUPAC4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one
SMILESCn1ccc(Nc2nc(C3CC3)nc3cn[nH]c23)cc1=O
InChIInChI=1S/C14H14N6O/c1-20-5-4-9(6-11(20)21)16-14-12-10(7-15-19-12)17-13(18-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyVKVZSVHDYJJRMH-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.67
Rot. Bonds3

About 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one

4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one (PubChem CID 90104754) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one
PubChem CID90104754
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one
SMILESCn1ccc(Nc2nc(C3CC3)nc3cn[nH]c23)cc1=O
InChIInChI=1S/C14H14N6O/c1-20-5-4-9(6-11(20)21)16-14-12-10(7-15-19-12)17-13(18-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyVKVZSVHDYJJRMH-UHFFFAOYSA-N
XLogP1.67
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one (CID 90104754) is 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one is Cn1ccc(Nc2nc(C3CC3)nc3cn[nH]c23)cc1=O.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one?
The InChIKey is VKVZSVHDYJJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20-5-4-9(6-11(20)21)16-14-12-10(7-15-19-12)17-13(18-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one?
4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one has a molecular weight of 282.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 90104754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).