5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine

C92H71N31O4 — CID 157198046

IUPAC5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.CN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/2C24H20N8O.C23H18N8O.C21H13N7O/c1-13(2)28-17-5-15(7-25-9-17)16-6-18-22(31-32-23(18)27-8-16)24-29-20-11-26-10-19(21(20)30-24)14-3-4-33-12-14;1-2-25-7-14-5-16(9-26-8-14)17-6-18-22(31-32-23(18)28-10-17)24-29-20-12-27-11-19(21(20)30-24)15-3-4-33-13-15;1-31(2)16-5-14(7-24-9-16)15-6-17-21(29-30-22(17)26-8-15)23-27-19-11-25-10-18(20(19)28-23)13-3-4-32-12-13;1-2-12(7-22-4-1)14-6-15-19(27-28-20(15)24-8-14)21-25-17-10-23-9-16(18(17)26-21)13-3-5-29-11-13/h3-13,28H,1-2H3,(H,29,30)(H,27,31,32);3-6,8-13,25H,2,7H2,1H3,(H,29,30)(H,28,31,32);3-12H,1-2H3,(H,27,28)(H,26,29,30);1-11H,(H,25,26)(H,24,27,28)
InChIKeyAQLZHEICIJAKBE-UHFFFAOYSA-N
MW1674.79 g/mol
LogP17.87
Rot. Bonds18

About 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine

5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 157198046) has the molecular formula C92H71N31O4 and a molecular weight of 1674.79 g/mol. Its IUPAC name is 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID157198046
Molecular FormulaC92H71N31O4
Molecular Weight1674.79 g/mol
Exact Mass1673.63
IUPAC Name5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.CN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/2C24H20N8O.C23H18N8O.C21H13N7O/c1-13(2)28-17-5-15(7-25-9-17)16-6-18-22(31-32-23(18)27-8-16)24-29-20-11-26-10-19(21(20)30-24)14-3-4-33-12-14;1-2-25-7-14-5-16(9-26-8-14)17-6-18-22(31-32-23(18)28-10-17)24-29-20-12-27-11-19(21(20)30-24)15-3-4-33-13-15;1-31(2)16-5-14(7-24-9-16)15-6-17-21(29-30-22(17)26-8-15)23-27-19-11-25-10-18(20(19)28-23)13-3-4-32-12-13;1-2-12(7-22-4-1)14-6-15-19(27-28-20(15)24-8-14)21-25-17-10-23-9-16(18(17)26-21)13-3-5-29-11-13/h3-13,28H,1-2H3,(H,29,30)(H,27,31,32);3-6,8-13,25H,2,7H2,1H3,(H,29,30)(H,28,31,32);3-12H,1-2H3,(H,27,28)(H,26,29,30);1-11H,(H,25,26)(H,24,27,28)
InChIKeyAQLZHEICIJAKBE-UHFFFAOYSA-N
XLogP17.87
TPSA463.98 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001674.79
LogP ≤ 517.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 157198046) is 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.CN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AQLZHEICIJAKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N8O.C23H18N8O.C21H13N7O/c1-13(2)28-17-5-15(7-25-9-17)16-6-18-22(31-32-23(18)27-8-16)24-29-20-11-26-10-19(21(20)30-24)14-3-4-33-12-14;1-2-25-7-14-5-16(9-26-8-14)17-6-18-22(31-32-23(18)28-10-17)24-29-20-12-27-11-19(21(20)30-24)15-3-4-33-13-15;1-31(2)16-5-14(7-24-9-16)15-6-17-21(29-30-22(17)26-8-15)23-27-19-11-25-10-18(20(19)28-23)13-3-4-32-12-13;1-2-12(7-22-4-1)14-6-15-19(27-28-20(15)24-8-14)21-25-17-10-23-9-16(18(17)26-21)13-3-5-29-11-13/h3-13,28H,1-2H3,(H,29,30)(H,27,31,32);3-6,8-13,25H,2,7H2,1H3,(H,29,30)(H,28,31,32);3-12H,1-2H3,(H,27,28)(H,26,29,30);1-11H,(H,25,26)(H,24,27,28).
What are the key properties of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1674.79 g/mol, XLogP of 17.87, 18 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 157198046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).