7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H24N6O2S — CID 92852382

IUPAC7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C23H24N6O2S/c1-14-13-32-23-25-17(11-19(30)28(14)23)12-27-10-9-24-22(31)21(27)20-15(2)26-29(16(20)3)18-7-5-4-6-8-18/h4-8,11,13,21H,9-10,12H2,1-3H3,(H,24,31)/t21-/m1/s1
InChIKeyWKSVPLIOBZPROH-OAQYLSRUSA-N
MW448.55 g/mol
LogP2.54
Rot. Bonds4

About 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 92852382) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID92852382
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C23H24N6O2S/c1-14-13-32-23-25-17(11-19(30)28(14)23)12-27-10-9-24-22(31)21(27)20-15(2)26-29(16(20)3)18-7-5-4-6-8-18/h4-8,11,13,21H,9-10,12H2,1-3H3,(H,24,31)/t21-/m1/s1
InChIKeyWKSVPLIOBZPROH-OAQYLSRUSA-N
XLogP2.54
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 92852382) is 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WKSVPLIOBZPROH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-14-13-32-23-25-17(11-19(30)28(14)23)12-27-10-9-24-22(31)21(27)20-15(2)26-29(16(20)3)18-7-5-4-6-8-18/h4-8,11,13,21H,9-10,12H2,1-3H3,(H,24,31)/t21-/m1/s1.
What are the key properties of 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 448.55 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 92852382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).