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

C24H25N5O — CID 162691650

IUPAC3-(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)cc1
InChIInChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)20-7-3-17(4-8-20)19-15-22-23(26-27-24(22)25-16-19)18-5-9-21(30-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyWTTUTRXPNFTTPC-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.05
Rot. Bonds4

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

3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162691650) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID162691650
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-(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)cc1
InChIInChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)20-7-3-17(4-8-20)19-15-22-23(26-27-24(22)25-16-19)18-5-9-21(30-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyWTTUTRXPNFTTPC-UHFFFAOYSA-N
XLogP4.05
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (CID 162691650) is 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(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)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is WTTUTRXPNFTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)20-7-3-17(4-8-20)19-15-22-23(26-27-24(22)25-16-19)18-5-9-21(30-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 399.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162691650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).