5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C23H20N8 — CID 137041164

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnc(C)n6C)cc45)cc23)cn1
InChIInChI=1S/C23H20N8/c1-13-11-31(12-26-13)20-6-4-5-18-16(20)8-19(27-18)22-17-7-15(9-25-23(17)29-28-22)21-10-24-14(2)30(21)3/h4-12,27H,1-3H3,(H,25,28,29)
InChIKeyNRZLXNQYCZFQFB-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.31
Rot. Bonds3

About 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041164) has the molecular formula C23H20N8 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137041164
Molecular FormulaC23H20N8
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnc(C)n6C)cc45)cc23)cn1
InChIInChI=1S/C23H20N8/c1-13-11-31(12-26-13)20-6-4-5-18-16(20)8-19(27-18)22-17-7-15(9-25-23(17)29-28-22)21-10-24-14(2)30(21)3/h4-12,27H,1-3H3,(H,25,28,29)
InChIKeyNRZLXNQYCZFQFB-UHFFFAOYSA-N
XLogP4.31
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137284149
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137040966
1-cyclopentyl-N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137041122
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145248459
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 150258094
3,3-dimethyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137087857
9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine
CID 145250167
3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114763
5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113326
N-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137040681
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 138604437
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056079

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137041164) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnc(C)n6C)cc45)cc23)cn1.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NRZLXNQYCZFQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8/c1-13-11-31(12-26-13)20-6-4-5-18-16(20)8-19(27-18)22-17-7-15(9-25-23(17)29-28-22)21-10-24-14(2)30(21)3/h4-12,27H,1-3H3,(H,25,28,29).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 408.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).