N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine

C16H17FN4 — CID 103385715

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(CNc2nccc3c2ncn3C)cc(C)c1F
InChIInChI=1S/C16H17FN4/c1-10-6-12(7-11(2)14(10)17)8-19-16-15-13(4-5-18-16)21(3)9-20-15/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyMVSIEWKWQHOMMF-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.34
Rot. Bonds3

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 103385715) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID103385715
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(CNc2nccc3c2ncn3C)cc(C)c1F
InChIInChI=1S/C16H17FN4/c1-10-6-12(7-11(2)14(10)17)8-19-16-15-13(4-5-18-16)21(3)9-20-15/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyMVSIEWKWQHOMMF-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine (CID 103385715) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine is Cc1cc(CNc2nccc3c2ncn3C)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is MVSIEWKWQHOMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-10-6-12(7-11(2)14(10)17)8-19-16-15-13(4-5-18-16)21(3)9-20-15/h4-7,9H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 284.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103385715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).