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

C14H13FN4 — CID 79300822

IUPAC3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2Cc1cccc(F)c1
InChIInChI=1S/C14H13FN4/c1-9-5-12-13(17-7-9)19(14(16)18-12)8-10-3-2-4-11(15)6-10/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyKGAOUEVRJBQTJN-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.51
Rot. Bonds2

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

3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79300822) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79300822
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2Cc1cccc(F)c1
InChIInChI=1S/C14H13FN4/c1-9-5-12-13(17-7-9)19(14(16)18-12)8-10-3-2-4-11(15)6-10/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyKGAOUEVRJBQTJN-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79300822) is 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is KGAOUEVRJBQTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9-5-12-13(17-7-9)19(14(16)18-12)8-10-3-2-4-11(15)6-10/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 256.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79300822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).