3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile

C17H15FN4 — CID 82143536

IUPAC3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESCc1cnc2c(c1)nc(Cc1ccc(F)cc1)n2CCC#N
InChIInChI=1S/C17H15FN4/c1-12-9-15-17(20-11-12)22(8-2-7-19)16(21-15)10-13-3-5-14(18)6-4-13/h3-6,9,11H,2,8,10H2,1H3
InChIKeyMJEBRWHHNHLGPA-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.38
Rot. Bonds4

About 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile

3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile (PubChem CID 82143536) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
PubChem CID82143536
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESCc1cnc2c(c1)nc(Cc1ccc(F)cc1)n2CCC#N
InChIInChI=1S/C17H15FN4/c1-12-9-15-17(20-11-12)22(8-2-7-19)16(21-15)10-13-3-5-14(18)6-4-13/h3-6,9,11H,2,8,10H2,1H3
InChIKeyMJEBRWHHNHLGPA-UHFFFAOYSA-N
XLogP3.38
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile (CID 82143536) is 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile is Cc1cnc2c(c1)nc(Cc1ccc(F)cc1)n2CCC#N.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile?
The InChIKey is MJEBRWHHNHLGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-12-9-15-17(20-11-12)22(8-2-7-19)16(21-15)10-13-3-5-14(18)6-4-13/h3-6,9,11H,2,8,10H2,1H3.
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile?
3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile has a molecular weight of 294.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 82143536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).