6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine

C21H17FN4O2 — CID 155539498

IUPAC6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine
SMILESCn1c(NCc2ccccc2F)nc2cnc(-c3ccc4c(c3)OCO4)cc21
InChIInChI=1S/C21H17FN4O2/c1-26-18-9-16(13-6-7-19-20(8-13)28-12-27-19)23-11-17(18)25-21(26)24-10-14-4-2-3-5-15(14)22/h2-9,11H,10,12H2,1H3,(H,24,25)
InChIKeyALYKFSRMYIXILF-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.12
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine

6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine (PubChem CID 155539498) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine
PubChem CID155539498
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine
SMILESCn1c(NCc2ccccc2F)nc2cnc(-c3ccc4c(c3)OCO4)cc21
InChIInChI=1S/C21H17FN4O2/c1-26-18-9-16(13-6-7-19-20(8-13)28-12-27-19)23-11-17(18)25-21(26)24-10-14-4-2-3-5-15(14)22/h2-9,11H,10,12H2,1H3,(H,24,25)
InChIKeyALYKFSRMYIXILF-UHFFFAOYSA-N
XLogP4.12
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine (CID 155539498) is 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine is Cn1c(NCc2ccccc2F)nc2cnc(-c3ccc4c(c3)OCO4)cc21.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
The InChIKey is ALYKFSRMYIXILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-26-18-9-16(13-6-7-19-20(8-13)28-12-27-19)23-11-17(18)25-21(26)24-10-14-4-2-3-5-15(14)22/h2-9,11H,10,12H2,1H3,(H,24,25).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine has a molecular weight of 376.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 155539498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).