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

C24H23N9 — CID 162691598

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4n[nH]c(-c5ccc(-c6nn[nH]n6)cc5)c4c3)cc2)CC1
InChIInChI=1S/C24H23N9/c1-32-10-12-33(13-11-32)20-8-6-16(7-9-20)19-14-21-22(26-27-24(21)25-15-19)17-2-4-18(5-3-17)23-28-30-31-29-23/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyKAMKMQXLWWIXAU-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.22
Rot. Bonds4

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

5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162691598) has the molecular formula C24H23N9 and a molecular weight of 437.51 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID162691598
Molecular FormulaC24H23N9
Molecular Weight437.51 g/mol
Exact Mass437.21
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4n[nH]c(-c5ccc(-c6nn[nH]n6)cc5)c4c3)cc2)CC1
InChIInChI=1S/C24H23N9/c1-32-10-12-33(13-11-32)20-8-6-16(7-9-20)19-14-21-22(26-27-24(21)25-15-19)17-2-4-18(5-3-17)23-28-30-31-29-23/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyKAMKMQXLWWIXAU-UHFFFAOYSA-N
XLogP3.22
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
CID 162691607
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 162691599
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 162691626
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
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
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
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (CID 162691598) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is CN1CCN(c2ccc(-c3cnc4n[nH]c(-c5ccc(-c6nn[nH]n6)cc5)c4c3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KAMKMQXLWWIXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9/c1-32-10-12-33(13-11-32)20-8-6-16(7-9-20)19-14-21-22(26-27-24(21)25-15-19)17-2-4-18(5-3-17)23-28-30-31-29-23/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)(H,28,29,30,31).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 437.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162691598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).