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

C28H34ClN5O2 — CID 10142150

IUPAC1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3ccccc3C)CC2)C1
InChIInChI=1S/C28H34ClN5O2/c1-20-5-3-4-6-26(20)32-15-13-31(14-16-32)17-24(36)18-34-27-11-12-33(21(2)35)19-25(27)28(30-34)22-7-9-23(29)10-8-22/h3-10,24,36H,11-19H2,1-2H3
InChIKeySVHPPAMEWCLERG-UHFFFAOYSA-N
MW508.07 g/mol
LogP3.60
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)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-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10142150) has the molecular formula C28H34ClN5O2 and a molecular weight of 508.07 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)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-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10142150
Molecular FormulaC28H34ClN5O2
Molecular Weight508.07 g/mol
Exact Mass507.24
IUPAC Name1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3ccccc3C)CC2)C1
InChIInChI=1S/C28H34ClN5O2/c1-20-5-3-4-6-26(20)32-15-13-31(14-16-32)17-24(36)18-34-27-11-12-33(21(2)35)19-25(27)28(30-34)22-7-9-23(29)10-8-22/h3-10,24,36H,11-19H2,1-2H3
InChIKeySVHPPAMEWCLERG-UHFFFAOYSA-N
XLogP3.60
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.07
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)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-methylphenyl)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-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10142150) is 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)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-methylphenyl)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-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3ccccc3C)CC2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is SVHPPAMEWCLERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O2/c1-20-5-3-4-6-26(20)32-15-13-31(14-16-32)17-24(36)18-34-27-11-12-33(21(2)35)19-25(27)28(30-34)22-7-9-23(29)10-8-22/h3-10,24,36H,11-19H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)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-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 508.07 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10142150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).