2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine

C23H17FN8 — CID 137054977

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H17FN8/c1-12-26-11-18(32(12)2)14-9-16-20(30-31-22(16)27-10-14)23-28-17-6-7-25-19(21(17)29-23)13-4-3-5-15(24)8-13/h3-11H,1-2H3,(H,28,29)(H,27,30,31)
InChIKeyOAUCZZGUADADTK-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.41
Rot. Bonds3

About 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 137054977) has the molecular formula C23H17FN8 and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine
PubChem CID137054977
Molecular FormulaC23H17FN8
Molecular Weight424.44 g/mol
Exact Mass424.16
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H17FN8/c1-12-26-11-18(32(12)2)14-9-16-20(30-31-22(16)27-10-14)23-28-17-6-7-25-19(21(17)29-23)13-4-3-5-15(24)8-13/h3-11H,1-2H3,(H,28,29)(H,27,30,31)
InChIKeyOAUCZZGUADADTK-UHFFFAOYSA-N
XLogP4.41
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine (CID 137054977) is 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine is Cc1ncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is OAUCZZGUADADTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8/c1-12-26-11-18(32(12)2)14-9-16-20(30-31-22(16)27-10-14)23-28-17-6-7-25-19(21(17)29-23)13-4-3-5-15(24)8-13/h3-11H,1-2H3,(H,28,29)(H,27,30,31).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 424.44 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137054977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).