[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

C21H25N5O3 — CID 43865320

IUPAC[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cnn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1OC
InChIInChI=1S/C21H25N5O3/c1-14-16(21(27)25-9-7-24(2)8-10-25)12-22-20-17(13-23-26(14)20)15-5-6-18(28-3)19(11-15)29-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyCHJRLXDPTXFZSY-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.11
Rot. Bonds4

About [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 43865320) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID43865320
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cnn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1OC
InChIInChI=1S/C21H25N5O3/c1-14-16(21(27)25-9-7-24(2)8-10-25)12-22-20-17(13-23-26(14)20)15-5-6-18(28-3)19(11-15)29-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyCHJRLXDPTXFZSY-UHFFFAOYSA-N
XLogP2.11
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865279
[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943370
[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42845923
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
3-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 28866691
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865296
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 50804241
3-(3,4-dimethoxyphenyl)-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 71701058
(4-methylpiperazin-1-yl)-[7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 5011272
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 50965530
3-(3,4-dimethoxyphenyl)-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 141183251

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 43865320) is [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2cnn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CHJRLXDPTXFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-16(21(27)25-9-7-24(2)8-10-25)12-22-20-17(13-23-26(14)20)15-5-6-18(28-3)19(11-15)29-4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 43865320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).