N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine

C14H12BrFN4 — CID 103385485

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCc3cc(Br)ccc3F)nccc21
InChIInChI=1S/C14H12BrFN4/c1-20-8-19-13-12(20)4-5-17-14(13)18-7-9-6-10(15)2-3-11(9)16/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeySPKQKNJZDSOZEJ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.48
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 103385485) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID103385485
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCc3cc(Br)ccc3F)nccc21
InChIInChI=1S/C14H12BrFN4/c1-20-8-19-13-12(20)4-5-17-14(13)18-7-9-6-10(15)2-3-11(9)16/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeySPKQKNJZDSOZEJ-UHFFFAOYSA-N
XLogP3.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385715
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-[(5-bromo-2-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702617
1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385548
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
CID 103386011
1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 114169666
2-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 103385145
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine
CID 141356977
N-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-c]pyridin-4-amine
CID 13264455

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine (CID 103385485) is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine is Cn1cnc2c(NCc3cc(Br)ccc3F)nccc21.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is SPKQKNJZDSOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c1-20-8-19-13-12(20)4-5-17-14(13)18-7-9-6-10(15)2-3-11(9)16/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 335.18 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103385485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).