2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide

C22H27N5O2 — CID 23604016

IUPAC2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C22H27N5O2/c1-16-19(14-22(28)23-8-9-26-10-12-29-13-11-26)17(2)27-21(24-16)15-20(25-27)18-6-4-3-5-7-18/h3-7,15H,8-14H2,1-2H3,(H,23,28)
InChIKeyKHLMDVRUYBTERE-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.00
Rot. Bonds6

About 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 23604016) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID23604016
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C22H27N5O2/c1-16-19(14-22(28)23-8-9-26-10-12-29-13-11-26)17(2)27-21(24-16)15-20(25-27)18-6-4-3-5-7-18/h3-7,15H,8-14H2,1-2H3,(H,23,28)
InChIKeyKHLMDVRUYBTERE-UHFFFAOYSA-N
XLogP2.00
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 20862990
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 23603999
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 20863744
7-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877286
N-(3-morpholin-4-ylpropyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30532438
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 24619762
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591
2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 22422879
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 50821899
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862959

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 23604016) is 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is KHLMDVRUYBTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-19(14-22(28)23-8-9-26-10-12-29-13-11-26)17(2)27-21(24-16)15-20(25-27)18-6-4-3-5-7-18/h3-7,15H,8-14H2,1-2H3,(H,23,28).
What are the key properties of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 23604016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).