5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine

C24H24ClN5O — CID 134140245

IUPAC5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cc(Cl)nc(N4CCNCC4)c32)cc1
InChIInChI=1S/C24H24ClN5O/c1-31-19-9-7-17(8-10-19)16-30-23-20(22(28-30)18-5-3-2-4-6-18)15-21(25)27-24(23)29-13-11-26-12-14-29/h2-10,15,26H,11-14,16H2,1H3
InChIKeyCTQLTLMYUSUASN-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine

5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine (PubChem CID 134140245) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine
PubChem CID134140245
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cc(Cl)nc(N4CCNCC4)c32)cc1
InChIInChI=1S/C24H24ClN5O/c1-31-19-9-7-17(8-10-19)16-30-23-20(22(28-30)18-5-3-2-4-6-18)15-21(25)27-24(23)29-13-11-26-12-14-29/h2-10,15,26H,11-14,16H2,1H3
InChIKeyCTQLTLMYUSUASN-UHFFFAOYSA-N
XLogP4.22
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine (CID 134140245) is 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine is COc1ccc(Cn2nc(-c3ccccc3)c3cc(Cl)nc(N4CCNCC4)c32)cc1.
What is the InChIKey of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine?
The InChIKey is CTQLTLMYUSUASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-31-19-9-7-17(8-10-19)16-30-23-20(22(28-30)18-5-3-2-4-6-18)15-21(25)27-24(23)29-13-11-26-12-14-29/h2-10,15,26H,11-14,16H2,1H3.
What are the key properties of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine?
5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine has a molecular weight of 433.94 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134140245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).