5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline

C19H14FN5 — CID 145044232

IUPAC5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline
SMILESC=Nc1ccc(-c2nc3ccncc3n2-c2ccc(F)cc2)cc1N
InChIInChI=1S/C19H14FN5/c1-22-16-7-2-12(10-15(16)21)19-24-17-8-9-23-11-18(17)25(19)14-5-3-13(20)4-6-14/h2-11H,1,21H2
InChIKeyVEKNLOMZRHKVKO-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.14
Rot. Bonds3

About 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline

5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline (PubChem CID 145044232) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline
PubChem CID145044232
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline
SMILESC=Nc1ccc(-c2nc3ccncc3n2-c2ccc(F)cc2)cc1N
InChIInChI=1S/C19H14FN5/c1-22-16-7-2-12(10-15(16)21)19-24-17-8-9-23-11-18(17)25(19)14-5-3-13(20)4-6-14/h2-11H,1,21H2
InChIKeyVEKNLOMZRHKVKO-UHFFFAOYSA-N
XLogP4.14
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-one
CID 90421691
3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
CID 86267348
3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
CID 166766311
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-2-pyridinyl]morpholine
CID 86268999
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
2-[3,5-bis[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
CID 155179345
4-(4-fluorophenyl)pyridin-3-amine
CID 82405156
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
azane;4-(4-fluorophenyl)pyridin-3-amine
CID 90409520
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 58803402
4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
CID 68643503

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline?
The IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline (CID 145044232) is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline.
What is the SMILES notation for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline?
The canonical SMILES for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline is C=Nc1ccc(-c2nc3ccncc3n2-c2ccc(F)cc2)cc1N.
What is the InChIKey of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline?
The InChIKey is VEKNLOMZRHKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c1-22-16-7-2-12(10-15(16)21)19-24-17-8-9-23-11-18(17)25(19)14-5-3-13(20)4-6-14/h2-11H,1,21H2.
What are the key properties of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline?
5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline has a molecular weight of 331.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline is sourced from PubChem (CID 145044232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).