2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine

C24H19FN8O — CID 137109928

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)nc45)nc23)c1
InChIInChI=1S/C24H19FN8O/c1-12-27-11-20(33(12)2)17-4-5-18-22(28-17)23(32-31-18)24-29-19-10-26-9-16(21(19)30-24)13-6-14(25)8-15(7-13)34-3/h4-11H,1-3H3,(H,29,30)(H,31,32)
InChIKeyOYVBQJVNDULLBV-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.42
Rot. Bonds4

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 137109928) has the molecular formula C24H19FN8O and a molecular weight of 454.47 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID137109928
Molecular FormulaC24H19FN8O
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)nc45)nc23)c1
InChIInChI=1S/C24H19FN8O/c1-12-27-11-20(33(12)2)17-4-5-18-22(28-17)23(32-31-18)24-29-19-10-26-9-16(21(19)30-24)13-6-14(25)8-15(7-13)34-3/h4-11H,1-3H3,(H,29,30)(H,31,32)
InChIKeyOYVBQJVNDULLBV-UHFFFAOYSA-N
XLogP4.42
TPSA110.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine (CID 137109928) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine is COc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)nc45)nc23)c1.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is OYVBQJVNDULLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O/c1-12-27-11-20(33(12)2)17-4-5-18-22(28-17)23(32-31-18)24-29-19-10-26-9-16(21(19)30-24)13-6-14(25)8-15(7-13)34-3/h4-11H,1-3H3,(H,29,30)(H,31,32).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 454.47 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137109928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).