5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

C25H19FN8 — CID 137109960

IUPAC5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C25H19FN8/c1-34(2)17-9-15(10-27-11-17)19-6-7-20-23(29-19)24(33-32-20)25-30-21-13-28-12-18(22(21)31-25)14-4-3-5-16(26)8-14/h3-13H,1-2H3,(H,30,31)(H,32,33)
InChIKeyFMEQEXAKKJQWLQ-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.83
Rot. Bonds4

About 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 137109960) has the molecular formula C25H19FN8 and a molecular weight of 450.48 g/mol. Its IUPAC name is 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
PubChem CID137109960
Molecular FormulaC25H19FN8
Molecular Weight450.48 g/mol
Exact Mass450.17
IUPAC Name5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C25H19FN8/c1-34(2)17-9-15(10-27-11-17)19-6-7-20-23(29-19)24(33-32-20)25-30-21-13-28-12-18(22(21)31-25)14-4-3-5-16(26)8-14/h3-13H,1-2H3,(H,30,31)(H,32,33)
InChIKeyFMEQEXAKKJQWLQ-UHFFFAOYSA-N
XLogP4.83
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (CID 137109960) is 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1.
What is the InChIKey of 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
The InChIKey is FMEQEXAKKJQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8/c1-34(2)17-9-15(10-27-11-17)19-6-7-20-23(29-19)24(33-32-20)25-30-21-13-28-12-18(22(21)31-25)14-4-3-5-16(26)8-14/h3-13H,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 450.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 137109960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).