5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C23H20N8 — CID 145037925

IUPAC5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESC=C/C=C(/c1ccccn1)c1nc(-c2[nH]nc3ncc(-c4cnn(C)c4)cc23)[nH]c1C
InChIInChI=1S/C23H20N8/c1-4-7-17(19-8-5-6-9-24-19)20-14(2)27-23(28-20)21-18-10-15(11-25-22(18)30-29-21)16-12-26-31(3)13-16/h4-13H,1H2,2-3H3,(H,27,28)(H,25,29,30)/b17-7-
InChIKeyGABMWWHPRYNCBO-IDUWFGFVSA-N
MW408.47 g/mol
LogP4.07
Rot. Bonds5

About 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 145037925) has the molecular formula C23H20N8 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID145037925
Molecular FormulaC23H20N8
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESC=C/C=C(/c1ccccn1)c1nc(-c2[nH]nc3ncc(-c4cnn(C)c4)cc23)[nH]c1C
InChIInChI=1S/C23H20N8/c1-4-7-17(19-8-5-6-9-24-19)20-14(2)27-23(28-20)21-18-10-15(11-25-22(18)30-29-21)16-12-26-31(3)13-16/h4-13H,1H2,2-3H3,(H,27,28)(H,25,29,30)/b17-7-
InChIKeyGABMWWHPRYNCBO-IDUWFGFVSA-N
XLogP4.07
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 145038002
ethane;3-[5-methyl-4-[(1E)-1-(5-methylthiophen-2-yl)buta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145250669
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056909
N,N-dimethyl-1-[3-[3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanamine
CID 137034082
N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145038555
3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 145038205
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945504
2-N-[5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 145038200
3-[4-[(1Z)-1-cyclopenta-1,4-dien-1-ylbuta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145037971
3-[4-[(1E)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 145254212
N-[3-fluoro-5-[(1Z)-1-[5-methyl-2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazol-4-yl]buta-1,3-dienyl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 145038411
(4Z,6E)-4-ethenyl-6-[3-[4-[(1Z)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylocta-4,6-dien-1-amine
CID 145038231

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 145037925) is 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is C=C/C=C(/c1ccccn1)c1nc(-c2[nH]nc3ncc(-c4cnn(C)c4)cc23)[nH]c1C.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is GABMWWHPRYNCBO-IDUWFGFVSA-N. The full InChI is InChI=1S/C23H20N8/c1-4-7-17(19-8-5-6-9-24-19)20-14(2)27-23(28-20)21-18-10-15(11-25-22(18)30-29-21)16-12-26-31(3)13-16/h4-13H,1H2,2-3H3,(H,27,28)(H,25,29,30)/b17-7-.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 408.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-[5-methyl-4-[(1Z)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 145037925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).