3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one

C23H28N4O3 — CID 20863481

IUPAC3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCCC4)c(C)n3n2)c(OC)c1
InChIInChI=1S/C23H28N4O3/c1-15-18(9-10-23(28)26-11-5-6-12-26)16(2)27-22(24-15)14-20(25-27)19-8-7-17(29-3)13-21(19)30-4/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyGAKRMOUFYODNJK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.59
Rot. Bonds6

About 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 20863481) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID20863481
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCCC4)c(C)n3n2)c(OC)c1
InChIInChI=1S/C23H28N4O3/c1-15-18(9-10-23(28)26-11-5-6-12-26)16(2)27-22(24-15)14-20(25-27)19-8-7-17(29-3)13-21(19)30-4/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyGAKRMOUFYODNJK-UHFFFAOYSA-N
XLogP3.59
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 20863308
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 20863460
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 20863489
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55382919
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 20863409
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863457
2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
CID 6622537
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55465695
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 38046949
ethyl (3S)-3-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]-3-thiophen-2-ylpropanoate
CID 92906441
N-[3-(1-benzylpiperidin-4-yl)propyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 46255720

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 20863481) is 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCCC4)c(C)n3n2)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GAKRMOUFYODNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-18(9-10-23(28)26-11-5-6-12-26)16(2)27-22(24-15)14-20(25-27)19-8-7-17(29-3)13-21(19)30-4/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 408.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 20863481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).