5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine

C23H18N8O — CID 136943014

IUPAC5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cncc(-c2cc3c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C23H18N8O/c1-13-11-31(12-26-13)20-5-3-4-17-22(20)28-23(27-17)21-16-7-18(25-10-19(16)29-30-21)14-6-15(32-2)9-24-8-14/h3-12H,1-2H3,(H,27,28)(H,29,30)
InChIKeyTUIXFZHOBVRVMP-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.07
Rot. Bonds4

About 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine

5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136943014) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID136943014
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cncc(-c2cc3c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C23H18N8O/c1-13-11-31(12-26-13)20-5-3-4-17-22(20)28-23(27-17)21-16-7-18(25-10-19(16)29-30-21)14-6-15(32-2)9-24-8-14/h3-12H,1-2H3,(H,27,28)(H,29,30)
InChIKeyTUIXFZHOBVRVMP-UHFFFAOYSA-N
XLogP4.07
TPSA110.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137057439
2-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137057421
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137057424
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137057428
5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 145033258
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942925
3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136946170
3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 145033704
2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137042336
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137142989
N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136509534
3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136946532

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 136943014) is 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine is COc1cncc(-c2cc3c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is TUIXFZHOBVRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c1-13-11-31(12-26-13)20-5-3-4-17-22(20)28-23(27-17)21-16-7-18(25-10-19(16)29-30-21)14-6-15(32-2)9-24-8-14/h3-12H,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 422.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136943014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).