1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone

C19H20ClN5O — CID 58237714

IUPAC1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
SMILESCc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)ccc1Cl
InChIInChI=1S/C19H20ClN5O/c1-14-11-16(4-5-17(14)20)23-7-9-24(10-8-23)18(26)13-25-19-15(12-22-25)3-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFPWHQXPBKANDOM-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.74
Rot. Bonds3

About 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone

1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone (PubChem CID 58237714) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
PubChem CID58237714
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
SMILESCc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)ccc1Cl
InChIInChI=1S/C19H20ClN5O/c1-14-11-16(4-5-17(14)20)23-7-9-24(10-8-23)18(26)13-25-19-15(12-22-25)3-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFPWHQXPBKANDOM-UHFFFAOYSA-N
XLogP2.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 158237332
2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 123439030
CID 58237741
CID 58237741
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-fluoropyrazolo[5,4-b]pyridin-1-yl)ethanone;bis(1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone);1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 158914395
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
CID 142790163
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;methane;trimethoxymethane
CID 172957737
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;methane
CID 160706203
lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide
CID 157340269
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[4,5-c]pyridin-1-yl)ethanone
CID 67103947
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?
The IUPAC name of 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone (CID 58237714) is 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone.
What is the SMILES notation for 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?
The canonical SMILES for 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone is Cc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?
The InChIKey is FPWHQXPBKANDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-14-11-16(4-5-17(14)20)23-7-9-24(10-8-23)18(26)13-25-19-15(12-22-25)3-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone has a molecular weight of 369.86 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone is sourced from PubChem (CID 58237714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).