[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

C26H28N6O4 — CID 174241597

IUPAC[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5cccn5C)C(C)C4)nn23)cc1OC
InChIInChI=1S/C26H28N6O4/c1-17-16-30(12-13-31(17)26(34)21-6-5-11-29(21)2)25(33)19-15-24-27-10-9-20(32(24)28-19)18-7-8-22(35-3)23(14-18)36-4/h5-11,14-15,17H,12-13,16H2,1-4H3
InChIKeyYHDBZLJIBCBMQV-UHFFFAOYSA-N
MW488.55 g/mol
LogP2.74
Rot. Bonds5

About [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 174241597) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID174241597
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5cccn5C)C(C)C4)nn23)cc1OC
InChIInChI=1S/C26H28N6O4/c1-17-16-30(12-13-31(17)26(34)21-6-5-11-29(21)2)25(33)19-15-24-27-10-9-20(32(24)28-19)18-7-8-22(35-3)23(14-18)36-4/h5-11,14-15,17H,12-13,16H2,1-4H3
InChIKeyYHDBZLJIBCBMQV-UHFFFAOYSA-N
XLogP2.74
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 174241589
[(2S)-4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 170409458
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,6-dimethylpiperazin-1-yl]-phenylmethanone
CID 167400882
[(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)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 170409237
[(2S)-4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-propan-2-ylpiperazin-1-yl]-phenylmethanone
CID 167400850
ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
CID 167400984
[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 170409292
[(2S)-4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 170306682
[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 170306761
[(2S)-4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-hydroxymethyl]-2-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 167035754
7-(3,4-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264955

Frequently Asked Questions

What is the IUPAC name of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 174241597) is [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5cccn5C)C(C)C4)nn23)cc1OC.
What is the InChIKey of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is YHDBZLJIBCBMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-17-16-30(12-13-31(17)26(34)21-6-5-11-29(21)2)25(33)19-15-24-27-10-9-20(32(24)28-19)18-7-8-22(35-3)23(14-18)36-4/h5-11,14-15,17H,12-13,16H2,1-4H3.
What are the key properties of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 488.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 174241597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).