1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

C23H22ClFN6OS — CID 118982447

IUPAC1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESCc1c(Cl)cc(F)c(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)c1C
InChIInChI=1S/C23H22ClFN6OS/c1-14-15(2)21(18(25)12-17(14)24)30-9-7-29(8-10-30)19(32)13-31-22-16(4-3-5-26-22)20(28-31)23-27-6-11-33-23/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyMPHVDNCTIZPTQR-UHFFFAOYSA-N
MW484.99 g/mol
LogP4.31
Rot. Bonds4

About 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 118982447) has the molecular formula C23H22ClFN6OS and a molecular weight of 484.99 g/mol. Its IUPAC name is 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
PubChem CID118982447
Molecular FormulaC23H22ClFN6OS
Molecular Weight484.99 g/mol
Exact Mass484.12
IUPAC Name1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESCc1c(Cl)cc(F)c(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)c1C
InChIInChI=1S/C23H22ClFN6OS/c1-14-15(2)21(18(25)12-17(14)24)30-9-7-29(8-10-30)19(32)13-31-22-16(4-3-5-26-22)20(28-31)23-27-6-11-33-23/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyMPHVDNCTIZPTQR-UHFFFAOYSA-N
XLogP4.31
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-chloro-6-fluoro-3-methoxy-2-methylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 118982987
CID 58237741
CID 58237741
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
1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 58237715
1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 166256644
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
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-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 70946568
1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 136565717
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 58237714
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
4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid
CID 16611070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 118982447) is 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is Cc1c(Cl)cc(F)c(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)c1C.
What is the InChIKey of 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The InChIKey is MPHVDNCTIZPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6OS/c1-14-15(2)21(18(25)12-17(14)24)30-9-7-29(8-10-30)19(32)13-31-22-16(4-3-5-26-22)20(28-31)23-27-6-11-33-23/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 484.99 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-6-fluoro-2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 118982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).