5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H16N4O3 — CID 70925588

IUPAC5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-7-6-12(9-17(16)26-2)15-10-18(24)23-19(22-15)13(11-21-23)14-5-3-4-8-20-14/h3-11,21H,1-2H3
InChIKeyFAKVOTMSMVOKQQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.77
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925588) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925588
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-7-6-12(9-17(16)26-2)15-10-18(24)23-19(22-15)13(11-21-23)14-5-3-4-8-20-14/h3-11,21H,1-2H3
InChIKeyFAKVOTMSMVOKQQ-UHFFFAOYSA-N
XLogP2.77
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925588) is 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FAKVOTMSMVOKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-16-7-6-12(9-17(16)26-2)15-10-18(24)23-19(22-15)13(11-21-23)14-5-3-4-8-20-14/h3-11,21H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 348.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).