6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine

C24H25N5 — CID 162654240

IUPAC6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCc1ccccc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H25N5/c1-18-5-3-4-6-22(18)23-15-24-19(16-25-23)17-26-29(24)21-9-7-20(8-10-21)28-13-11-27(2)12-14-28/h3-10,15-17H,11-14H2,1-2H3
InChIKeyRBMDGNPAWSFMAQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.15
Rot. Bonds3

About 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine

6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (PubChem CID 162654240) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
PubChem CID162654240
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCc1ccccc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H25N5/c1-18-5-3-4-6-22(18)23-15-24-19(16-25-23)17-26-29(24)21-9-7-20(8-10-21)28-13-11-27(2)12-14-28/h3-10,15-17H,11-14H2,1-2H3
InChIKeyRBMDGNPAWSFMAQ-UHFFFAOYSA-N
XLogP4.15
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (CID 162654240) is 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is Cc1ccccc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The InChIKey is RBMDGNPAWSFMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-18-5-3-4-6-22(18)23-15-24-19(16-25-23)17-26-29(24)21-9-7-20(8-10-21)28-13-11-27(2)12-14-28/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine has a molecular weight of 383.50 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162654240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).