[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C27H29N5O3 — CID 170409292

IUPAC[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccnc3cc(C(=O)N4CCN(CCc5ccccc5)CC4)nn23)cc1OC
InChIInChI=1S/C27H29N5O3/c1-34-24-9-8-21(18-25(24)35-2)23-10-12-28-26-19-22(29-32(23)26)27(33)31-16-14-30(15-17-31)13-11-20-6-4-3-5-7-20/h3-10,12,18-19H,11,13-17H2,1-2H3
InChIKeyAIVUYILESUHCKK-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.41
Rot. Bonds7

About [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 170409292) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID170409292
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccnc3cc(C(=O)N4CCN(CCc5ccccc5)CC4)nn23)cc1OC
InChIInChI=1S/C27H29N5O3/c1-34-24-9-8-21(18-25(24)35-2)23-10-12-28-26-19-22(29-32(23)26)27(33)31-16-14-30(15-17-31)13-11-20-6-4-3-5-7-20/h3-10,12,18-19H,11,13-17H2,1-2H3
InChIKeyAIVUYILESUHCKK-UHFFFAOYSA-N
XLogP3.41
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
CID 167400984
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,6-dimethylpiperazin-1-yl]-phenylmethanone
CID 167400882
[(2S)-4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-propan-2-ylpiperazin-1-yl]-phenylmethanone
CID 167400850
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 174241597
[(2S,5R)-4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,5-dimethylpiperazin-1-yl]-phenylmethanone
CID 167400943
7-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400835
7-(3,4-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264955
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 174241589
[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 170409237
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 167400834
7-(3,4-dimethoxyphenyl)-N-[6-(morpholine-4-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400762

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 170409292) is [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is COc1ccc(-c2ccnc3cc(C(=O)N4CCN(CCc5ccccc5)CC4)nn23)cc1OC.
What is the InChIKey of [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is AIVUYILESUHCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-34-24-9-8-21(18-25(24)35-2)23-10-12-28-26-19-22(29-32(23)26)27(33)31-16-14-30(15-17-31)13-11-20-6-4-3-5-7-20/h3-10,12,18-19H,11,13-17H2,1-2H3.
What are the key properties of [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 471.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 170409292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).