3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine

C24H24ClN5O — CID 162691590

IUPAC3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1Cl
InChIInChI=1S/C24H24ClN5O/c1-29-9-11-30(12-10-29)19-6-3-16(4-7-19)18-13-20-23(27-28-24(20)26-15-18)17-5-8-22(31-2)21(25)14-17/h3-8,13-15H,9-12H2,1-2H3,(H,26,27,28)
InChIKeySXGLKAJWKHWEPI-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.71
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine

3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162691590) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID162691590
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1Cl
InChIInChI=1S/C24H24ClN5O/c1-29-9-11-30(12-10-29)19-6-3-16(4-7-19)18-13-20-23(27-28-24(20)26-15-18)17-5-8-22(31-2)21(25)14-17/h3-8,13-15H,9-12H2,1-2H3,(H,26,27,28)
InChIKeySXGLKAJWKHWEPI-UHFFFAOYSA-N
XLogP4.71
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (CID 162691590) is 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2[nH]nc3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SXGLKAJWKHWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-29-9-11-30(12-10-29)19-6-3-16(4-7-19)18-13-20-23(27-28-24(20)26-15-18)17-5-8-22(31-2)21(25)14-17/h3-8,13-15H,9-12H2,1-2H3,(H,26,27,28).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 433.94 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162691590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).