3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine

C15H16N4 — CID 79290080

IUPAC3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cccc(CCn2c(N)nc3cccnc32)c1
InChIInChI=1S/C15H16N4/c1-11-4-2-5-12(10-11)7-9-19-14-13(18-15(19)16)6-3-8-17-14/h2-6,8,10H,7,9H2,1H3,(H2,16,18)
InChIKeyQLABFWCYYVQUEQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine

3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79290080) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79290080
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cccc(CCn2c(N)nc3cccnc32)c1
InChIInChI=1S/C15H16N4/c1-11-4-2-5-12(10-11)7-9-19-14-13(18-15(19)16)6-3-8-17-14/h2-6,8,10H,7,9H2,1H3,(H2,16,18)
InChIKeyQLABFWCYYVQUEQ-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine (CID 79290080) is 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine is Cc1cccc(CCn2c(N)nc3cccnc32)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is QLABFWCYYVQUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-4-2-5-12(10-11)7-9-19-14-13(18-15(19)16)6-3-8-17-14/h2-6,8,10H,7,9H2,1H3,(H2,16,18).
What are the key properties of 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79290080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).