7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H12N6O2S — CID 4803915

IUPAC7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(COc2ncnc3c2cnn3-c2ccccc2)nc2sccn12
InChIInChI=1S/C18H12N6O2S/c25-15-8-12(22-18-23(15)6-7-27-18)10-26-17-14-9-21-24(16(14)19-11-20-17)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyLLHNSEWQKHNBEX-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.46
Rot. Bonds4

About 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4803915) has the molecular formula C18H12N6O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4803915
Molecular FormulaC18H12N6O2S
Molecular Weight376.40 g/mol
Exact Mass376.07
IUPAC Name7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(COc2ncnc3c2cnn3-c2ccccc2)nc2sccn12
InChIInChI=1S/C18H12N6O2S/c25-15-8-12(22-18-23(15)6-7-27-18)10-26-17-14-9-21-24(16(14)19-11-20-17)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyLLHNSEWQKHNBEX-UHFFFAOYSA-N
XLogP2.46
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4803915) is 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(COc2ncnc3c2cnn3-c2ccccc2)nc2sccn12.
What is the InChIKey of 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LLHNSEWQKHNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2S/c25-15-8-12(22-18-23(15)6-7-27-18)10-26-17-14-9-21-24(16(14)19-11-20-17)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 376.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4803915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).