3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine

C23H23N5 — CID 134327695

IUPAC3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5)nc34)cc2)CC1
InChIInChI=1S/C23H23N5/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)22-23-21(25-26-22)12-11-20(24-23)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,25,26)
InChIKeyXRAKYRSFDRHQLD-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.04
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine

3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 134327695) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine
PubChem CID134327695
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5)nc34)cc2)CC1
InChIInChI=1S/C23H23N5/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)22-23-21(25-26-22)12-11-20(24-23)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,25,26)
InChIKeyXRAKYRSFDRHQLD-UHFFFAOYSA-N
XLogP4.04
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine (CID 134327695) is 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5)nc34)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is XRAKYRSFDRHQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)22-23-21(25-26-22)12-11-20(24-23)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,25,26).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 369.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134327695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).