4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline

C15H14FN3 — CID 55118825

IUPAC4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2cn3ccccc3n2)ccc1F
InChIInChI=1S/C15H14FN3/c1-11-8-12(5-6-14(11)16)17-9-13-10-19-7-3-2-4-15(19)18-13/h2-8,10,17H,9H2,1H3
InChIKeyXIRCKDWBLCRNOB-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.39
Rot. Bonds3

About 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline

4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline (PubChem CID 55118825) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
PubChem CID55118825
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2cn3ccccc3n2)ccc1F
InChIInChI=1S/C15H14FN3/c1-11-8-12(5-6-14(11)16)17-9-13-10-19-7-3-2-4-15(19)18-13/h2-8,10,17H,9H2,1H3
InChIKeyXIRCKDWBLCRNOB-UHFFFAOYSA-N
XLogP3.39
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline
CID 43179471
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 43123163
2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
CID 104726088
5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 102847163
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4,6-dimethylpyridin-2-amine
CID 4702007
N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide
CID 78876668
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline?
The IUPAC name of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline (CID 55118825) is 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline?
The canonical SMILES for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline is Cc1cc(NCc2cn3ccccc3n2)ccc1F.
What is the InChIKey of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline?
The InChIKey is XIRCKDWBLCRNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-11-8-12(5-6-14(11)16)17-9-13-10-19-7-3-2-4-15(19)18-13/h2-8,10,17H,9H2,1H3.
What are the key properties of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline?
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline has a molecular weight of 255.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline is sourced from PubChem (CID 55118825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).