7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one

C19H16N6O2 — CID 154566361

IUPAC7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)OCC(=O)N4)c2n1
InChIInChI=1S/C19H16N6O2/c1-11-7-12(2)25-19(22-11)14(9-21-25)18-20-5-6-24(18)13-3-4-15-16(8-13)27-10-17(26)23-15/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyXWABGVFZAMJEOC-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.53
Rot. Bonds2

About 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one

7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 154566361) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one
PubChem CID154566361
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)OCC(=O)N4)c2n1
InChIInChI=1S/C19H16N6O2/c1-11-7-12(2)25-19(22-11)14(9-21-25)18-20-5-6-24(18)13-3-4-15-16(8-13)27-10-17(26)23-15/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyXWABGVFZAMJEOC-UHFFFAOYSA-N
XLogP2.53
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138385007
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
5,7-dimethyl-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166620296
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
CID 137243996
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
7-(5-fluoro-2-methyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 167066753
5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 51345972
6-[2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 18080499
6-fluoro-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.03,8.017,21]henicosa-1(20),3(8),4,6,14(21),15,18-heptaen-13-one
CID 155153459
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
CID 71876216
7-[4-(4-methylpiperidin-1-yl)anilino]-4H-1,4-benzoxazin-3-one
CID 167300314

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one (CID 154566361) is 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one is Cc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)OCC(=O)N4)c2n1.
What is the InChIKey of 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is XWABGVFZAMJEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-11-7-12(2)25-19(22-11)14(9-21-25)18-20-5-6-24(18)13-3-4-15-16(8-13)27-10-17(26)23-15/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one?
7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 360.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 154566361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).