5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine

C15H16N4 — CID 81137999

IUPAC5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(C(C)c3ccccc3)c2n1
InChIInChI=1S/C15H16N4/c1-10-8-9-13-14(17-10)19(15(16)18-13)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,16,18)
InChIKeyPLFVYEIHVYMLBU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.93
Rot. Bonds2

About 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine

5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 81137999) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID81137999
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(C(C)c3ccccc3)c2n1
InChIInChI=1S/C15H16N4/c1-10-8-9-13-14(17-10)19(15(16)18-13)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,16,18)
InChIKeyPLFVYEIHVYMLBU-UHFFFAOYSA-N
XLogP2.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine (CID 81137999) is 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(C(C)c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is PLFVYEIHVYMLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-8-9-13-14(17-10)19(15(16)18-13)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,16,18).
What are the key properties of 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine?
5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81137999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).