1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

C35H38ClN9O — CID 129216968

About 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (PubChem CID 129216968) has the molecular formula C35H38ClN9O and a molecular weight of 636.20 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
• PubChem CID: 129216968
• Molecular Formula: C35H38ClN9O
• Molecular Weight: 636.20 g/mol
• Exact Mass: 635.29
• IUPAC Name: 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
• SMILES: Cc1ccc(-n2nc(N3CCOC(C)(C)C3)c3ccncc32)cc1.Clc1ccc(-n2nc(N3CCNCC3)c3ccncc32)cc1
• InChI: InChI=1S/C19H22N4O.C16H16ClN5/c1-14-4-6-15(7-5-14)23-17-12-20-9-8-16(17)18(21-23)22-10-11-24-19(2,3)13-22;17-12-1-3-13(4-2-12)22-15-11-19-6-5-14(15)16(20-22)21-9-7-18-8-10-21/h4-9,12H,10-11,13H2,1-3H3;1-6,11,18H,7-10H2
• InChIKey: FVNPYZSJCJOWQO-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 89.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.20
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

The IUPAC name of 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (CID 129216968) is 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

What is the SMILES notation for 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

The canonical SMILES for 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is Cc1ccc(-n2nc(N3CCOC(C)(C)C3)c3ccncc32)cc1.Clc1ccc(-n2nc(N3CCNCC3)c3ccncc32)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

The InChIKey is FVNPYZSJCJOWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C16H16ClN5/c1-14-4-6-15(7-5-14)23-17-12-20-9-8-16(17)18(21-23)22-10-11-24-19(2,3)13-22;17-12-1-3-13(4-2-12)22-15-11-19-6-5-14(15)16(20-22)21-9-7-18-8-10-21/h4-9,12H,10-11,13H2,1-3H3;1-6,11,18H,7-10H2.

What are the key properties of 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine has a molecular weight of 636.20 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is sourced from PubChem (CID 129216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).