4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one

C22H16N4O3 — CID 8539687

IUPAC4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
SMILESCc1ccc(-n2ncc3c(Oc4ccc5c(C)cc(=O)oc5c4)ncnc32)cc1
InChIInChI=1S/C22H16N4O3/c1-13-3-5-15(6-4-13)26-21-18(11-25-26)22(24-12-23-21)28-16-7-8-17-14(2)9-20(27)29-19(17)10-16/h3-12H,1-2H3
InChIKeyLZPWXTNOITUSHA-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.33
Rot. Bonds3

About 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one

4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one (PubChem CID 8539687) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
PubChem CID8539687
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
SMILESCc1ccc(-n2ncc3c(Oc4ccc5c(C)cc(=O)oc5c4)ncnc32)cc1
InChIInChI=1S/C22H16N4O3/c1-13-3-5-15(6-4-13)26-21-18(11-25-26)22(24-12-23-21)28-16-7-8-17-14(2)9-20(27)29-19(17)10-16/h3-12H,1-2H3
InChIKeyLZPWXTNOITUSHA-UHFFFAOYSA-N
XLogP4.33
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 66317999
6-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one
CID 8539502
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[5,4-d]pyrimidine
CID 7205668
6-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one
CID 8540058
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
4-(4-nitrophenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 167971445
1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540480
4-[7-(2-fluorophenyl)-4-(4-methyl-2-oxochromen-7-yl)oxypyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 170558045

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one?
The IUPAC name of 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one (CID 8539687) is 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one.
What is the SMILES notation for 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one?
The canonical SMILES for 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one is Cc1ccc(-n2ncc3c(Oc4ccc5c(C)cc(=O)oc5c4)ncnc32)cc1.
What is the InChIKey of 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one?
The InChIKey is LZPWXTNOITUSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-13-3-5-15(6-4-13)26-21-18(11-25-26)22(24-12-23-21)28-16-7-8-17-14(2)9-20(27)29-19(17)10-16/h3-12H,1-2H3.
What are the key properties of 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one?
4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one has a molecular weight of 384.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one is sourced from PubChem (CID 8539687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).