[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H27N5O3 — CID 75283620

IUPAC[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCN(c4ccccn4)CC3)NN2)c(OC)c1
InChIInChI=1S/C21H27N5O3/c1-28-15-6-7-16(19(13-15)29-2)17-14-18(24-23-17)21(27)26-11-9-25(10-12-26)20-5-3-4-8-22-20/h3-8,13,17-18,23-24H,9-12,14H2,1-2H3
InChIKeyPBIZFEUVTFYAAA-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.36
Rot. Bonds5

About [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 75283620) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID75283620
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCN(c4ccccn4)CC3)NN2)c(OC)c1
InChIInChI=1S/C21H27N5O3/c1-28-15-6-7-16(19(13-15)29-2)17-14-18(24-23-17)21(27)26-11-9-25(10-12-26)20-5-3-4-8-22-20/h3-8,13,17-18,23-24H,9-12,14H2,1-2H3
InChIKeyPBIZFEUVTFYAAA-UHFFFAOYSA-N
XLogP1.36
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75283629
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106
[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
CID 134067077
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75234418
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
5-(2,4-dimethoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolidine-3-carboxamide
CID 75283715
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 75261621
[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 118758750

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 75283620) is [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(C2CC(C(=O)N3CCN(c4ccccn4)CC3)NN2)c(OC)c1.
What is the InChIKey of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PBIZFEUVTFYAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-28-15-6-7-16(19(13-15)29-2)17-14-18(24-23-17)21(27)26-11-9-25(10-12-26)20-5-3-4-8-22-20/h3-8,13,17-18,23-24H,9-12,14H2,1-2H3.
What are the key properties of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 75283620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).