3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline

C15H15FN4 — CID 107793649

IUPAC3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCC(C)n1c(-c2ccc(N)cc2F)nc2cccnc21
InChIInChI=1S/C15H15FN4/c1-9(2)20-14(11-6-5-10(17)8-12(11)16)19-13-4-3-7-18-15(13)20/h3-9H,17H2,1-2H3
InChIKeyLZWDDFZHQVDWHL-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.40
Rot. Bonds2

About 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline

3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 107793649) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID107793649
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCC(C)n1c(-c2ccc(N)cc2F)nc2cccnc21
InChIInChI=1S/C15H15FN4/c1-9(2)20-14(11-6-5-10(17)8-12(11)16)19-13-4-3-7-18-15(13)20/h3-9H,17H2,1-2H3
InChIKeyLZWDDFZHQVDWHL-UHFFFAOYSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)phenol
CID 82829204
3-fluoro-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 114002407
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704572
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 55241902
4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 115296275
3-chloro-4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 61399197
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793614
2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 98023074
1-propan-2-ylpyrrolo[2,3-b]pyridin-2-amine
CID 170310746
3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 104828995

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline (CID 107793649) is 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline is CC(C)n1c(-c2ccc(N)cc2F)nc2cccnc21.
What is the InChIKey of 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is LZWDDFZHQVDWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-9(2)20-14(11-6-5-10(17)8-12(11)16)19-13-4-3-7-18-15(13)20/h3-9H,17H2,1-2H3.
What are the key properties of 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline?
3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 270.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 107793649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).