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

C20H18N4O3 — CID 172666274

IUPAC5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(OC(C)c2cc(=O)n3[nH]c(-c4ccncc4)cc3n2)c1
InChIInChI=1S/C20H18N4O3/c1-13(27-16-5-3-4-15(10-16)26-2)17-12-20(25)24-19(22-17)11-18(23-24)14-6-8-21-9-7-14/h3-13,23H,1-2H3
InChIKeyLLWXIGBKMQMZAP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.23
Rot. Bonds5

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

5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172666274) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172666274
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(OC(C)c2cc(=O)n3[nH]c(-c4ccncc4)cc3n2)c1
InChIInChI=1S/C20H18N4O3/c1-13(27-16-5-3-4-15(10-16)26-2)17-12-20(25)24-19(22-17)11-18(23-24)14-6-8-21-9-7-14/h3-13,23H,1-2H3
InChIKeyLLWXIGBKMQMZAP-UHFFFAOYSA-N
XLogP3.23
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 86164563
5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271004
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110239180
2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1084420
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271162
5-[(3,5-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172670444
5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92558201
2-(3-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133032
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172666274) is 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(OC(C)c2cc(=O)n3[nH]c(-c4ccncc4)cc3n2)c1.
What is the InChIKey of 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LLWXIGBKMQMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(27-16-5-3-4-15(10-16)26-2)17-12-20(25)24-19(22-17)11-18(23-24)14-6-8-21-9-7-14/h3-13,23H,1-2H3.
What are the key properties of 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 362.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172666274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).