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

C25H27N5 — CID 162674761

IUPAC6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCc1cccc(C)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C25H27N5/c1-18-5-4-6-19(2)25(18)23-15-24-20(16-26-23)17-27-30(24)22-9-7-21(8-10-22)29-13-11-28(3)12-14-29/h4-10,15-17H,11-14H2,1-3H3
InChIKeyBGLXYSOOOYIUHF-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.46
Rot. Bonds3

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

6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (PubChem CID 162674761) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
PubChem CID162674761
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCc1cccc(C)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C25H27N5/c1-18-5-4-6-19(2)25(18)23-15-24-20(16-26-23)17-27-30(24)22-9-7-21(8-10-22)29-13-11-28(3)12-14-29/h4-10,15-17H,11-14H2,1-3H3
InChIKeyBGLXYSOOOYIUHF-UHFFFAOYSA-N
XLogP4.46
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.46
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-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (CID 162674761) is 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is Cc1cccc(C)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The InChIKey is BGLXYSOOOYIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-18-5-4-6-19(2)25(18)23-15-24-20(16-26-23)17-27-30(24)22-9-7-21(8-10-22)29-13-11-28(3)12-14-29/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine has a molecular weight of 397.53 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162674761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).