7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine

C12H17N3 — CID 172546378

IUPAC7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
SMILESCCC1=CC(C(C)C)=NC2N=C(C)N=C12
InChIInChI=1S/C12H17N3/c1-5-9-6-10(7(2)3)15-12-11(9)13-8(4)14-12/h6-7,12H,5H2,1-4H3
InChIKeyOEYRBRSIOWMBPG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.63
Rot. Bonds2

About 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine

7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine (PubChem CID 172546378) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
PubChem CID172546378
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
SMILESCCC1=CC(C(C)C)=NC2N=C(C)N=C12
InChIInChI=1S/C12H17N3/c1-5-9-6-10(7(2)3)15-12-11(9)13-8(4)14-12/h6-7,12H,5H2,1-4H3
InChIKeyOEYRBRSIOWMBPG-UHFFFAOYSA-N
XLogP2.63
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
The IUPAC name of 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine (CID 172546378) is 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine is CCC1=CC(C(C)C)=NC2N=C(C)N=C12.
What is the InChIKey of 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
The InChIKey is OEYRBRSIOWMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-5-9-6-10(7(2)3)15-12-11(9)13-8(4)14-12/h6-7,12H,5H2,1-4H3.
What are the key properties of 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine has a molecular weight of 203.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine is sourced from PubChem (CID 172546378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).