3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C22H28N4O3 — CID 11596391

IUPAC3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOC[C@@H]1CCCN1c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C22H28N4O3/c1-14-11-20(25-10-6-7-16(25)13-27-3)26-22(23-14)21(15(2)24-26)18-9-8-17(28-4)12-19(18)29-5/h8-9,11-12,16H,6-7,10,13H2,1-5H3/t16-/m0/s1
InChIKeyPFUQHIJIKFUIDL-INIZCTEOSA-N
MW396.49 g/mol
LogP3.65
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 11596391) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID11596391
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOC[C@@H]1CCCN1c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C22H28N4O3/c1-14-11-20(25-10-6-7-16(25)13-27-3)26-22(23-14)21(15(2)24-26)18-9-8-17(28-4)12-19(18)29-5/h8-9,11-12,16H,6-7,10,13H2,1-5H3/t16-/m0/s1
InChIKeyPFUQHIJIKFUIDL-INIZCTEOSA-N
XLogP3.65
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 59777421
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
2,5-dimethyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166251605
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 142400735
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4898409
methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
CID 59777431
7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole
CID 67335442
3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11627053
N-cyclobutyl-N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177831
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 125140665

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 11596391) is 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is COC[C@@H]1CCCN1c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PFUQHIJIKFUIDL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-11-20(25-10-6-7-16(25)13-27-3)26-22(23-14)21(15(2)24-26)18-9-8-17(28-4)12-19(18)29-5/h8-9,11-12,16H,6-7,10,13H2,1-5H3/t16-/m0/s1.
What are the key properties of 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 396.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11596391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).