methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate

C20H20N4O4 — CID 58207276

IUPACmethyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Cc2cc(N3CCOCC3)n3nccc3n2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-20(26)15-4-2-14(3-5-15)17(25)12-16-13-19(23-8-10-28-11-9-23)24-18(22-16)6-7-21-24/h2-7,13H,8-12H2,1H3
InChIKeyVYRKGIDQIYNINK-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.78
Rot. Bonds5

About methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate

methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate (PubChem CID 58207276) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
PubChem CID58207276
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Namemethyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Cc2cc(N3CCOCC3)n3nccc3n2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-20(26)15-4-2-14(3-5-15)17(25)12-16-13-19(23-8-10-28-11-9-23)24-18(22-16)6-7-21-24/h2-7,13H,8-12H2,1H3
InChIKeyVYRKGIDQIYNINK-UHFFFAOYSA-N
XLogP1.78
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206932
1-(1H-indol-6-yl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206964
1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-pyridin-2-ylpentan-2-one
CID 58207353
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
1-(4-tert-butylphenyl)-2-[7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207043
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544
1-(4-tert-butylphenyl)-2-[7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207266
7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate
CID 158478903
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
1-(4-tert-butylphenyl)-2-[7-(2,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207283
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone
CID 58206993

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate?
The IUPAC name of methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate (CID 58207276) is methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate.
What is the SMILES notation for methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate?
The canonical SMILES for methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate is COC(=O)c1ccc(C(=O)Cc2cc(N3CCOCC3)n3nccc3n2)cc1.
What is the InChIKey of methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate?
The InChIKey is VYRKGIDQIYNINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-20(26)15-4-2-14(3-5-15)17(25)12-16-13-19(23-8-10-28-11-9-23)24-18(22-16)6-7-21-24/h2-7,13H,8-12H2,1H3.
What are the key properties of methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate?
methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate has a molecular weight of 380.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate is sourced from PubChem (CID 58207276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).