3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

C25H16N6O2 — CID 137109600

IUPAC3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
SMILESc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C25H16N6O2/c1-4-16(14-6-9-20-21(11-14)33-13-32-20)22-18(5-1)28-25(29-22)24-23-19(30-31-24)8-7-17(27-23)15-3-2-10-26-12-15/h1-12H,13H2,(H,28,29)(H,30,31)
InChIKeyBJZTVXRPXWSMJT-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.96
Rot. Bonds3

About 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109600) has the molecular formula C25H16N6O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137109600
Molecular FormulaC25H16N6O2
Molecular Weight432.44 g/mol
Exact Mass432.13
IUPAC Name3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
SMILESc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C25H16N6O2/c1-4-16(14-6-9-20-21(11-14)33-13-32-20)22-18(5-1)28-25(29-22)24-23-19(30-31-24)8-7-17(27-23)15-3-2-10-26-12-15/h1-12H,13H2,(H,28,29)(H,30,31)
InChIKeyBJZTVXRPXWSMJT-UHFFFAOYSA-N
XLogP4.96
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137109378
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752
N-[5-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide
CID 137109153
5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424393
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109372
3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038963
[4-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137109575
N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 139424455
5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137041682
N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137110389
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137308906
3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038916

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (CID 137109600) is 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is BJZTVXRPXWSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2/c1-4-16(14-6-9-20-21(11-14)33-13-32-20)22-18(5-1)28-25(29-22)24-23-19(30-31-24)8-7-17(27-23)15-3-2-10-26-12-15/h1-12H,13H2,(H,28,29)(H,30,31).
What are the key properties of 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 432.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).