(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C21H23N5O4S — CID 92566809

IUPAC(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1
InChIInChI=1S/C21H23N5O4S/c1-24-15-19(20(23-24)16-7-9-22-10-8-16)31(28,29)26-13-11-25(12-14-26)21(27)17-5-3-4-6-18(17)30-2/h3-10,15H,11-14H2,1-2H3
InChIKeyZYCDFNYUFVBEJU-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.64
Rot. Bonds5

About (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 92566809) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID92566809
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1
InChIInChI=1S/C21H23N5O4S/c1-24-15-19(20(23-24)16-7-9-22-10-8-16)31(28,29)26-13-11-25(12-14-26)21(27)17-5-3-4-6-18(17)30-2/h3-10,15H,11-14H2,1-2H3
InChIKeyZYCDFNYUFVBEJU-UHFFFAOYSA-N
XLogP1.64
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 53078819
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[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
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6-[4-(2-methoxybenzoyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzothiazol-2-one
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CID 68776678
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
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2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 92566809) is (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is ZYCDFNYUFVBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-24-15-19(20(23-24)16-7-9-22-10-8-16)31(28,29)26-13-11-25(12-14-26)21(27)17-5-3-4-6-18(17)30-2/h3-10,15H,11-14H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 441.51 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 92566809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).