ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate

C22H25N5O5 — CID 167400984

IUPACethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)CC1
InChIInChI=1S/C22H25N5O5/c1-4-32-22(29)26-11-9-25(10-12-26)21(28)16-14-20-23-8-7-17(27(20)24-16)15-5-6-18(30-2)19(13-15)31-3/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyRHHKISWYPLYQCV-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.33
Rot. Bonds5

About ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 167400984) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
PubChem CID167400984
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Nameethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)CC1
InChIInChI=1S/C22H25N5O5/c1-4-32-22(29)26-11-9-25(10-12-26)21(28)16-14-20-23-8-7-17(27(20)24-16)15-5-6-18(30-2)19(13-15)31-3/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyRHHKISWYPLYQCV-UHFFFAOYSA-N
XLogP2.33
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 170409292
ethyl 7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 24775846
[(2S)-4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 170409458
[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 170409237
7-(3,4-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264955
7-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400835
[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
7-(3,4-dimethoxyphenyl)-N-[6-(morpholine-4-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400762
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 174241589
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 167400834

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate (CID 167400984) is ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)CC1.
What is the InChIKey of ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is RHHKISWYPLYQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-4-32-22(29)26-11-9-25(10-12-26)21(28)16-14-20-23-8-7-17(27(20)24-16)15-5-6-18(30-2)19(13-15)31-3/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 439.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 167400984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).