6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H20N4O3 — CID 159769981

IUPAC6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc2oc(-c3c(C)nc4c(-c5ccc(C)cc5)c(C)[nH]n4c3=O)nc12
InChIInChI=1S/C23H20N4O3/c1-12-8-10-15(11-9-12)18-14(3)26-27-21(18)24-13(2)19(23(27)28)22-25-20-16(29-4)6-5-7-17(20)30-22/h5-11,26H,1-4H3
InChIKeyGAZBPEGEUJHYKO-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.43
Rot. Bonds3

About 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 159769981) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID159769981
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc2oc(-c3c(C)nc4c(-c5ccc(C)cc5)c(C)[nH]n4c3=O)nc12
InChIInChI=1S/C23H20N4O3/c1-12-8-10-15(11-9-12)18-14(3)26-27-21(18)24-13(2)19(23(27)28)22-25-20-16(29-4)6-5-7-17(20)30-22/h5-11,26H,1-4H3
InChIKeyGAZBPEGEUJHYKO-UHFFFAOYSA-N
XLogP4.43
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 159769981) is 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc2oc(-c3c(C)nc4c(-c5ccc(C)cc5)c(C)[nH]n4c3=O)nc12.
What is the InChIKey of 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GAZBPEGEUJHYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-12-8-10-15(11-9-12)18-14(3)26-27-21(18)24-13(2)19(23(27)28)22-25-20-16(29-4)6-5-7-17(20)30-22/h5-11,26H,1-4H3.
What are the key properties of 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 400.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 159769981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).