1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C28H34ClN5O3 — CID 10208398

IUPAC1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1
InChIInChI=1S/C28H34ClN5O3/c1-20(35)33-12-11-25-24(19-33)28(21-7-9-22(29)10-8-21)30-34(25)18-23(36)17-31-13-15-32(16-14-31)26-5-3-4-6-27(26)37-2/h3-10,23,36H,11-19H2,1-2H3
InChIKeyOLGPTESPJQDMGI-UHFFFAOYSA-N
MW524.07 g/mol
LogP3.30
Rot. Bonds7

About 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10208398) has the molecular formula C28H34ClN5O3 and a molecular weight of 524.07 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10208398
Molecular FormulaC28H34ClN5O3
Molecular Weight524.07 g/mol
Exact Mass523.24
IUPAC Name1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1
InChIInChI=1S/C28H34ClN5O3/c1-20(35)33-12-11-25-24(19-33)28(21-7-9-22(29)10-8-21)30-34(25)18-23(36)17-31-13-15-32(16-14-31)26-5-3-4-6-27(26)37-2/h3-10,23,36H,11-19H2,1-2H3
InChIKeyOLGPTESPJQDMGI-UHFFFAOYSA-N
XLogP3.30
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.07
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10208398) is 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OLGPTESPJQDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O3/c1-20(35)33-12-11-25-24(19-33)28(21-7-9-22(29)10-8-21)30-34(25)18-23(36)17-31-13-15-32(16-14-31)26-5-3-4-6-27(26)37-2/h3-10,23,36H,11-19H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 524.07 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10208398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).