[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone

C23H28N4O2 — CID 122176403

IUPAC[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-14-10-15(2)19(16(3)11-14)12-20-17(4)25-22-21(13-24-27(22)18(20)5)23(28)26-6-8-29-9-7-26/h10-11,13H,6-9,12H2,1-5H3
InChIKeyVGLOGIRRSBTTCL-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.33
Rot. Bonds3

About [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone

[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 122176403) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
PubChem CID122176403
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-14-10-15(2)19(16(3)11-14)12-20-17(4)25-22-21(13-24-27(22)18(20)5)23(28)26-6-8-29-9-7-26/h10-11,13H,6-9,12H2,1-5H3
InChIKeyVGLOGIRRSBTTCL-UHFFFAOYSA-N
XLogP3.33
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone (CID 122176403) is [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone is Cc1cc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c(C)c1.
What is the InChIKey of [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VGLOGIRRSBTTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14-10-15(2)19(16(3)11-14)12-20-17(4)25-22-21(13-24-27(22)18(20)5)23(28)26-6-8-29-9-7-26/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 392.50 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122176403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).