3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine

C24H18F2N6 — CID 171493880

IUPAC3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
SMILESCCc1ccc(-n2c(-c3c(F)ccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C24H18F2N6/c1-2-14-3-6-16(7-4-14)32-23-20(31-24(32)21-17(26)11-12-28-22(21)27)10-9-19(30-23)18-8-5-15(25)13-29-18/h3-13H,2H2,1H3,(H2,27,28)
InChIKeyADKLUOQXFXKWLU-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.97
Rot. Bonds4

About 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine

3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine (PubChem CID 171493880) has the molecular formula C24H18F2N6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
PubChem CID171493880
Molecular FormulaC24H18F2N6
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
SMILESCCc1ccc(-n2c(-c3c(F)ccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C24H18F2N6/c1-2-14-3-6-16(7-4-14)32-23-20(31-24(32)21-17(26)11-12-28-22(21)27)10-9-19(30-23)18-8-5-15(25)13-29-18/h3-13H,2H2,1H3,(H2,27,28)
InChIKeyADKLUOQXFXKWLU-UHFFFAOYSA-N
XLogP4.97
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine with MolForge

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Related Compounds

[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171496453
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171494066
3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
CID 177316714
3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496093
ethane;3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496092
N-[2-[[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl-but-3-enylamino]ethyl]thiohydroxylamine
CID 177316802
3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine?
The IUPAC name of 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine (CID 171493880) is 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine?
The canonical SMILES for 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine is CCc1ccc(-n2c(-c3c(F)ccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine?
The InChIKey is ADKLUOQXFXKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6/c1-2-14-3-6-16(7-4-14)32-23-20(31-24(32)21-17(26)11-12-28-22(21)27)10-9-19(30-23)18-8-5-15(25)13-29-18/h3-13H,2H2,1H3,(H2,27,28).
What are the key properties of 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine?
3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine has a molecular weight of 428.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine is sourced from PubChem (CID 171493880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).