methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate

C19H14N4O3 — CID 70925637

IUPACmethyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C19H14N4O3/c1-26-19(25)13-7-5-12(6-8-13)16-10-17(24)23-18(22-16)14(11-21-23)15-4-2-3-9-20-15/h2-11,21H,1H3
InChIKeyLWZJTEAMEFALRP-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.54
Rot. Bonds3

About methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate

methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate (PubChem CID 70925637) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
PubChem CID70925637
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Namemethyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C19H14N4O3/c1-26-19(25)13-7-5-12(6-8-13)16-10-17(24)23-18(22-16)14(11-21-23)15-4-2-3-9-20-15/h2-11,21H,1H3
InChIKeyLWZJTEAMEFALRP-UHFFFAOYSA-N
XLogP2.54
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925349
5-(3-methyl-2H-indazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925366
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925557
5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925759
methyl 4-(5-iodo-1-methyl-2-pyridin-2-ylimidazol-4-yl)benzoate
CID 66986124
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
CID 67284094
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 67787412
3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925446

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate?
The IUPAC name of methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate (CID 70925637) is methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate.
What is the SMILES notation for methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate?
The canonical SMILES for methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate is COC(=O)c1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1.
What is the InChIKey of methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate?
The InChIKey is LWZJTEAMEFALRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-26-19(25)13-7-5-12(6-8-13)16-10-17(24)23-18(22-16)14(11-21-23)15-4-2-3-9-20-15/h2-11,21H,1H3.
What are the key properties of methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate?
methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate has a molecular weight of 346.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate is sourced from PubChem (CID 70925637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).