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

C18H14N4O2 — CID 70925473

IUPAC5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-13-7-5-12(6-8-13)16-10-17(23)22-18(21-16)14(11-20-22)15-4-2-3-9-19-15/h2-11,20H,1H3
InChIKeyODGYUBQGASATKF-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.76
Rot. Bonds3

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

5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925473) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925473
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-13-7-5-12(6-8-13)16-10-17(23)22-18(21-16)14(11-20-22)15-4-2-3-9-19-15/h2-11,20H,1H3
InChIKeyODGYUBQGASATKF-UHFFFAOYSA-N
XLogP2.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454601
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
(Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135685787
5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVd)
CID 126963299
6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 663246
3-(4-Methoxy-phenyl)-N-pyridin-3-ylmethyl-acrylamide
CID 764040
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 882473
2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3709566
6-Imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0,3,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4617997
2-[2-(4-methoxybenzylidene)hydrazino]-2-oxo-N-(3-pyridinylmethyl)acetamide
CID 9591506
N-(2-methoxy-5-methylbenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide
CID 53317096

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925473) is 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ODGYUBQGASATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-13-7-5-12(6-8-13)16-10-17(23)22-18(21-16)14(11-20-22)15-4-2-3-9-19-15/h2-11,20H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).