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

C25H19FN8O — CID 136945870

IUPAC3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESCN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H19FN8O/c1-34(2)17-6-14(10-27-12-17)15-8-19-22(32-33-24(19)29-11-15)25-30-20-3-4-28-21(23(20)31-25)13-5-16(26)9-18(35)7-13/h3-12,35H,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyRVXHBELBZFPDQH-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.54
Rot. Bonds4

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

3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 136945870) has the molecular formula C25H19FN8O and a molecular weight of 466.48 g/mol. Its IUPAC name is 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
PubChem CID136945870
Molecular FormulaC25H19FN8O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESCN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H19FN8O/c1-34(2)17-6-14(10-27-12-17)15-8-19-22(32-33-24(19)29-11-15)25-30-20-3-4-28-21(23(20)31-25)13-5-16(26)9-18(35)7-13/h3-12,35H,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyRVXHBELBZFPDQH-UHFFFAOYSA-N
XLogP4.54
TPSA119.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-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-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (CID 136945870) is 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-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-[5-(dimethylamino)-3-pyridinyl]-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-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is CN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The InChIKey is RVXHBELBZFPDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O/c1-34(2)17-6-14(10-27-12-17)15-8-19-22(32-33-24(19)29-11-15)25-30-20-3-4-28-21(23(20)31-25)13-5-16(26)9-18(35)7-13/h3-12,35H,1-2H3,(H,30,31)(H,29,32,33).
What are the key properties of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 466.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 136945870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).