6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one

C20H23N5O3 — CID 134451451

IUPAC6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4)n(C)nc3c2=O)CC1
InChIInChI=1S/C20H23N5O3/c1-14(26)24-10-8-20(28,9-11-24)12-25-13-21-16-17(19(25)27)22-23(2)18(16)15-6-4-3-5-7-15/h3-7,13,28H,8-12H2,1-2H3
InChIKeyOMRRKBJGXVQBOF-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.17
Rot. Bonds3

About 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one

6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 134451451) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID134451451
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4)n(C)nc3c2=O)CC1
InChIInChI=1S/C20H23N5O3/c1-14(26)24-10-8-20(28,9-11-24)12-25-13-21-16-17(19(25)27)22-23(2)18(16)15-6-4-3-5-7-15/h3-7,13,28H,8-12H2,1-2H3
InChIKeyOMRRKBJGXVQBOF-UHFFFAOYSA-N
XLogP1.17
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one (CID 134451451) is 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one is CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4)n(C)nc3c2=O)CC1.
What is the InChIKey of 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is OMRRKBJGXVQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14(26)24-10-8-20(28,9-11-24)12-25-13-21-16-17(19(25)27)22-23(2)18(16)15-6-4-3-5-7-15/h3-7,13,28H,8-12H2,1-2H3.
What are the key properties of 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 381.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetyl-4-hydroxypiperidin-4-yl)methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 134451451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).