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

C26H20FN7 — CID 137133900

IUPAC5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)c3c2)c1
InChIInChI=1S/C26H20FN7/c1-34(2)19-11-17(13-28-14-19)16-5-8-22-21(12-16)24(33-32-22)26-30-23-20(9-10-29-25(23)31-26)15-3-6-18(27)7-4-15/h3-14H,1-2H3,(H,32,33)(H,29,30,31)
InChIKeyBRNYUVNNLJXWOL-UHFFFAOYSA-N
MW449.49 g/mol
LogP5.44
Rot. Bonds4

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

5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 137133900) has the molecular formula C26H20FN7 and a molecular weight of 449.49 g/mol. Its IUPAC name is 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
PubChem CID137133900
Molecular FormulaC26H20FN7
Molecular Weight449.49 g/mol
Exact Mass449.18
IUPAC Name5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)c3c2)c1
InChIInChI=1S/C26H20FN7/c1-34(2)19-11-17(13-28-14-19)16-5-8-22-21(12-16)24(33-32-22)26-30-23-20(9-10-29-25(23)31-26)15-3-6-18(27)7-4-15/h3-14H,1-2H3,(H,32,33)(H,29,30,31)
InChIKeyBRNYUVNNLJXWOL-UHFFFAOYSA-N
XLogP5.44
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137134692
N,N-dimethyl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137014603
5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 136937979
7-pyridin-4-yl-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 136937796
7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 136938075
7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137135651
7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 145035876
5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137055695
N-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137055761
N-[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137014571
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937125
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137133903

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (CID 137133900) is 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?
The InChIKey is BRNYUVNNLJXWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7/c1-34(2)19-11-17(13-28-14-19)16-5-8-22-21(12-16)24(33-32-22)26-30-23-20(9-10-29-25(23)31-26)15-3-6-18(27)7-4-15/h3-14H,1-2H3,(H,32,33)(H,29,30,31).
What are the key properties of 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?
5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 449.49 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 137133900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).