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

C25H23N7O — CID 162691607

IUPAC2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
SMILESCN1CCN(c2ccc(-c3cnc4n[nH]c(-c5ccc(-c6nnco6)cc5)c4c3)cc2)CC1
InChIInChI=1S/C25H23N7O/c1-31-10-12-32(13-11-31)21-8-6-17(7-9-21)20-14-22-23(28-29-24(22)26-15-20)18-2-4-19(5-3-18)25-30-27-16-33-25/h2-9,14-16H,10-13H2,1H3,(H,26,28,29)
InChIKeyHUILDQSPKLKRSC-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.09
Rot. Bonds4

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

2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 162691607) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
PubChem CID162691607
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
SMILESCN1CCN(c2ccc(-c3cnc4n[nH]c(-c5ccc(-c6nnco6)cc5)c4c3)cc2)CC1
InChIInChI=1S/C25H23N7O/c1-31-10-12-32(13-11-31)21-8-6-17(7-9-21)20-14-22-23(28-29-24(22)26-15-20)18-2-4-19(5-3-18)25-30-27-16-33-25/h2-9,14-16H,10-13H2,1H3,(H,26,28,29)
InChIKeyHUILDQSPKLKRSC-UHFFFAOYSA-N
XLogP4.09
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 162691626
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 162691598
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 162691599
N,N-dimethyl-1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanamine
CID 145492462
3-iodo-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138754280
2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-1,3-oxazole
CID 146274463
3-bromo-2-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 146272522
1-[(2R)-2-acetyl-5-[2-[4-[4-[3-(3-methyl-4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperazin-1-yl]ethyl]-1,3-dihydroinden-2-yl]propan-2-one
CID 166739064
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137310785
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 121241441
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole (CID 162691607) is 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole is CN1CCN(c2ccc(-c3cnc4n[nH]c(-c5ccc(-c6nnco6)cc5)c4c3)cc2)CC1.
What is the InChIKey of 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is HUILDQSPKLKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-31-10-12-32(13-11-31)21-8-6-17(7-9-21)20-14-22-23(28-29-24(22)26-15-20)18-2-4-19(5-3-18)25-30-27-16-33-25/h2-9,14-16H,10-13H2,1H3,(H,26,28,29).
What are the key properties of 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 437.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162691607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).