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

C23H17FN8O — CID 136945912

IUPAC3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESCc1ncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H17FN8O/c1-11-26-10-18(32(11)2)13-7-16-20(30-31-22(16)27-9-13)23-28-17-3-4-25-19(21(17)29-23)12-5-14(24)8-15(33)6-12/h3-10,33H,1-2H3,(H,28,29)(H,27,30,31)
InChIKeyVYFWZDMPCXRWBI-UHFFFAOYSA-N
MW440.44 g/mol
LogP4.12
Rot. Bonds3

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

3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 136945912) has the molecular formula C23H17FN8O and a molecular weight of 440.44 g/mol. Its IUPAC name is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
PubChem CID136945912
Molecular FormulaC23H17FN8O
Molecular Weight440.44 g/mol
Exact Mass440.15
IUPAC Name3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESCc1ncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H17FN8O/c1-11-26-10-18(32(11)2)13-7-16-20(30-31-22(16)27-9-13)23-28-17-3-4-25-19(21(17)29-23)12-5-14(24)8-15(33)6-12/h3-10,33H,1-2H3,(H,28,29)(H,27,30,31)
InChIKeyVYFWZDMPCXRWBI-UHFFFAOYSA-N
XLogP4.12
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 135565635
CID 135565635
CID 118009188
CID 118009188
CID 46879449
CID 46879449
CID 46879450
CID 46879450
CID 46880075
CID 46880075
CID 46880076
CID 46880076
CID 46880102
CID 46880102
CID 46880104
CID 46880104
CID 46880136
CID 46880136
CID 46880138
CID 46880138
CID 46880217
CID 46880217
CID 46880218
CID 46880218

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (CID 136945912) is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is Cc1ncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)n1C.
What is the InChIKey of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The InChIKey is VYFWZDMPCXRWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8O/c1-11-26-10-18(32(11)2)13-7-16-20(30-31-22(16)27-9-13)23-28-17-3-4-25-19(21(17)29-23)12-5-14(24)8-15(33)6-12/h3-10,33H,1-2H3,(H,28,29)(H,27,30,31).
What are the key properties of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 440.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 136945912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).