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

C27H30Cl3N5O2 — CID 10231404

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

1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10231404) has the molecular formula C27H30Cl3N5O2 and a molecular weight of 562.93 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 10231404
• Molecular Formula: C27H30Cl3N5O2
• Molecular Weight: 562.93 g/mol
• Exact Mass: 561.15
• IUPAC Name: 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3cc(Cl)cc(Cl)c3)CC2)C1
• InChI: InChI=1S/C27H30Cl3N5O2/c1-18(36)34-7-6-26-25(17-34)27(19-2-4-20(28)5-3-19)31-35(26)16-24(37)15-32-8-10-33(11-9-32)23-13-21(29)12-22(30)14-23/h2-5,12-14,24,37H,6-11,15-17H2,1H3
• InChIKey: DQFSTTRYWJKXGV-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 64.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.93
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10231404) is 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3cc(Cl)cc(Cl)c3)CC2)C1.

What is the InChIKey of 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is DQFSTTRYWJKXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl3N5O2/c1-18(36)34-7-6-26-25(17-34)27(19-2-4-20(28)5-3-19)31-35(26)16-24(37)15-32-8-10-33(11-9-32)23-13-21(29)12-22(30)14-23/h2-5,12-14,24,37H,6-11,15-17H2,1H3.

What are the key properties of 1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(4-chlorophenyl)-1-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 562.93 g/mol, XLogP of 4.60, 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-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10231404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).