[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

C24H31N5O3 — CID 20943370

IUPAC[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1OCC
InChIInChI=1S/C24H31N5O3/c1-6-31-20-9-8-18(14-21(20)32-7-2)22-16(3)26-29-17(4)19(15-25-23(22)29)24(30)28-12-10-27(5)11-13-28/h8-9,14-15H,6-7,10-13H2,1-5H3
InChIKeyCOBUTHVLWCENSQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.20
Rot. Bonds6

About [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 20943370) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID20943370
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1OCC
InChIInChI=1S/C24H31N5O3/c1-6-31-20-9-8-18(14-21(20)32-7-2)22-16(3)26-29-17(4)19(15-25-23(22)29)24(30)28-12-10-27(5)11-13-28/h8-9,14-15H,6-7,10-13H2,1-5H3
InChIKeyCOBUTHVLWCENSQ-UHFFFAOYSA-N
XLogP3.20
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943364
3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338255
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338268
3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338319
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 50790806
[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-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653171
ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4988814
(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 43865364

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 20943370) is [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1OCC.
What is the InChIKey of [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is COBUTHVLWCENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-6-31-20-9-8-18(14-21(20)32-7-2)22-16(3)26-29-17(4)19(15-25-23(22)29)24(30)28-12-10-27(5)11-13-28/h8-9,14-15H,6-7,10-13H2,1-5H3.
What are the key properties of [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 437.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 20943370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).