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

C23H24N6S — CID 145038205

IUPAC3-[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
SMILESC=C/C=C(/c1cccs1)c1nc(-c2[nH]nc3ncc(C4CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C23H24N6S/c1-3-5-17(19-6-4-11-30-19)20-14(2)26-23(27-20)21-18-12-16(13-25-22(18)29-28-21)15-7-9-24-10-8-15/h3-6,11-13,15,24H,1,7-10H2,2H3,(H,26,27)(H,25,28,29)/b17-5-
InChIKeyHLTQRWQVWZNMEO-ZWSORDCHSA-N
MW416.55 g/mol
LogP4.80
Rot. Bonds5

About 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

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 (PubChem CID 145038205) has the molecular formula C23H24N6S and a molecular weight of 416.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID145038205
Molecular FormulaC23H24N6S
Molecular Weight416.55 g/mol
Exact Mass416.18
IUPAC Name3-[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
SMILESC=C/C=C(/c1cccs1)c1nc(-c2[nH]nc3ncc(C4CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C23H24N6S/c1-3-5-17(19-6-4-11-30-19)20-14(2)26-23(27-20)21-18-12-16(13-25-22(18)29-28-21)15-7-9-24-10-8-15/h3-6,11-13,15,24H,1,7-10H2,2H3,(H,26,27)(H,25,28,29)/b17-5-
InChIKeyHLTQRWQVWZNMEO-ZWSORDCHSA-N
XLogP4.80
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
CID 145036651
3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
CID 145037062
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
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
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
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
1-[5-[2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137056989
2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056912
(3E,5E)-N-(3-methylbut-1-en-2-yl)-5-[3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145250435
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137054944
(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(/c1cccs1)c1nc(-c2[nH]nc3ncc(C4CCNCC4)cc23)[nH]c1C.
What is the InChIKey of 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?
The InChIKey is HLTQRWQVWZNMEO-ZWSORDCHSA-N. The full InChI is InChI=1S/C23H24N6S/c1-3-5-17(19-6-4-11-30-19)20-14(2)26-23(27-20)21-18-12-16(13-25-22(18)29-28-21)15-7-9-24-10-8-15/h3-6,11-13,15,24H,1,7-10H2,2H3,(H,26,27)(H,25,28,29)/b17-5-.
What are the key properties of 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?
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 has a molecular weight of 416.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145038205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).