2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide

C23H28N4O2 — CID 99804448

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-15-20(16(2)27-21(24-15)14-22(28)25-27)13-23(29)26(3)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-8,14,18-19H,9-13H2,1-3H3,(H,25,28)
InChIKeyQIPDTQHDDYSZIJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.37
Rot. Bonds4

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide (PubChem CID 99804448) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
PubChem CID99804448
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-15-20(16(2)27-21(24-15)14-22(28)25-27)13-23(29)26(3)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-8,14,18-19H,9-13H2,1-3H3,(H,25,28)
InChIKeyQIPDTQHDDYSZIJ-UHFFFAOYSA-N
XLogP3.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide (CID 99804448) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
The InChIKey is QIPDTQHDDYSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-20(16(2)27-21(24-15)14-22(28)25-27)13-23(29)26(3)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-8,14,18-19H,9-13H2,1-3H3,(H,25,28).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 99804448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).