[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] N-propan-2-ylcarbamate

C30H39ClN6O3 — CID 69373201

About [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] N-propan-2-ylcarbamate

[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] N-propan-2-ylcarbamate (PubChem CID 69373201) has the molecular formula C30H39ClN6O3 and a molecular weight of 567.13 g/mol. Its IUPAC name is [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] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [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] N-propan-2-ylcarbamate
• PubChem CID: 69373201
• Molecular Formula: C30H39ClN6O3
• Molecular Weight: 567.13 g/mol
• Exact Mass: 566.28
• IUPAC Name: [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] N-propan-2-ylcarbamate
• SMILES: Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(OC(=O)NC(C)C)C3)CC1
• InChI: InChI=1S/C30H39ClN6O3/c1-21(2)32-30(39)40-36-13-12-28-26(20-36)29(23-8-10-24(31)11-9-23)33-37(28)19-25(38)18-34-14-16-35(17-15-34)27-7-5-4-6-22(27)3/h4-11,21,25,38H,12-20H2,1-3H3,(H,32,39)
• InChIKey: CZWOUOAPJLCIAU-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 86.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.13
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [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] N-propan-2-ylcarbamate?

The IUPAC name of [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] N-propan-2-ylcarbamate (CID 69373201) is [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] N-propan-2-ylcarbamate.

What is the SMILES notation for [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] N-propan-2-ylcarbamate?

The canonical SMILES for [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] N-propan-2-ylcarbamate is Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(OC(=O)NC(C)C)C3)CC1.

What is the InChIKey of [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] N-propan-2-ylcarbamate?

The InChIKey is CZWOUOAPJLCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN6O3/c1-21(2)32-30(39)40-36-13-12-28-26(20-36)29(23-8-10-24(31)11-9-23)33-37(28)19-25(38)18-34-14-16-35(17-15-34)27-7-5-4-6-22(27)3/h4-11,21,25,38H,12-20H2,1-3H3,(H,32,39).

What are the key properties of [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] N-propan-2-ylcarbamate?

[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] N-propan-2-ylcarbamate has a molecular weight of 567.13 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [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] N-propan-2-ylcarbamate is sourced from PubChem (CID 69373201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).