1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone

C20H22ClN5O2 — CID 142790163

IUPAC1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3ncc4ncc(C)cc43)CC2)ccc1Cl
InChIInChI=1S/C20H22ClN5O2/c1-14-9-18-17(22-11-14)12-23-26(18)13-20(27)25-7-5-24(6-8-25)15-3-4-16(21)19(10-15)28-2/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeySFAHJIJIXGJVQX-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone (PubChem CID 142790163) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
PubChem CID142790163
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3ncc4ncc(C)cc43)CC2)ccc1Cl
InChIInChI=1S/C20H22ClN5O2/c1-14-9-18-17(22-11-14)12-23-26(18)13-20(27)25-7-5-24(6-8-25)15-3-4-16(21)19(10-15)28-2/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeySFAHJIJIXGJVQX-UHFFFAOYSA-N
XLogP2.75
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[4,5-c]pyridin-1-yl)ethanone
CID 67103947
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-3-methyl-5-propan-2-ylpyrazol-1-yl)ethanone
CID 142843277
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
2-[5-(aminomethyl)-4-chloro-3-iodopyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 163998122
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 70829636
CID 58237741
CID 58237741
2-[4-chloro-3-(1-hydroxypyridin-1-ium-4-yl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 135974478
3-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-hydroxy-1,3-benzoxazol-2-one
CID 58834349
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-propyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 21071060
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778060
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 58237714
2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine
CID 157162002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone (CID 142790163) is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone is COc1cc(N2CCN(C(=O)Cn3ncc4ncc(C)cc43)CC2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
The InChIKey is SFAHJIJIXGJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-14-9-18-17(22-11-14)12-23-26(18)13-20(27)25-7-5-24(6-8-25)15-3-4-16(21)19(10-15)28-2/h3-4,9-12H,5-8,13H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone has a molecular weight of 399.88 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 142790163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).