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

C24H19FN8O — CID 136947680

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)nc23)c1
InChIInChI=1S/C24H19FN8O/c1-12-27-11-21(33(12)2)18-7-16-19(10-28-18)31-32-23(16)24-29-20-9-26-8-17(22(20)30-24)13-4-14(25)6-15(5-13)34-3/h4-11H,1-3H3,(H,29,30)(H,31,32)
InChIKeyIJTSOKHDSRORRQ-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.42
Rot. Bonds4

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 136947680) 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[3,4-c]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[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID136947680
Molecular FormulaC24H19FN8O
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)nc23)c1
InChIInChI=1S/C24H19FN8O/c1-12-27-11-21(33(12)2)18-7-16-19(10-28-18)31-32-23(16)24-29-20-9-26-8-17(22(20)30-24)13-4-14(25)6-15(5-13)34-3/h4-11H,1-3H3,(H,29,30)(H,31,32)
InChIKeyIJTSOKHDSRORRQ-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

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

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Related Compounds

2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 136947456
3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136947697
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
3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136946170
N-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136947666
3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136947590
3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136947296
5-[3-[7-(3-fluoro-5-hydroxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 136947550
N-[[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 136943171
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137311316
2-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136946182
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol
CID 136947536

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]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[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine (CID 136947680) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]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[3,4-c]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[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine is COc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)nc23)c1.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is IJTSOKHDSRORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O/c1-12-27-11-21(33(12)2)18-7-16-19(10-28-18)31-32-23(16)24-29-20-9-26-8-17(22(20)30-24)13-4-14(25)6-15(5-13)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[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]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[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136947680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).