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

C11H15N3 — CID 172546340

IUPAC2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
SMILESCC1=CC(C(C)C)=NC2N=C(C)N=C12
InChIInChI=1S/C11H15N3/c1-6(2)9-5-7(3)10-11(14-9)13-8(4)12-10/h5-6,11H,1-4H3
InChIKeySDTYQXSWXFPVBH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.24
Rot. Bonds1

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

2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine (PubChem CID 172546340) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
PubChem CID172546340
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
SMILESCC1=CC(C(C)C)=NC2N=C(C)N=C12
InChIInChI=1S/C11H15N3/c1-6(2)9-5-7(3)10-11(14-9)13-8(4)12-10/h5-6,11H,1-4H3
InChIKeySDTYQXSWXFPVBH-UHFFFAOYSA-N
XLogP2.24
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
The IUPAC name of 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine (CID 172546340) is 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
The canonical SMILES for 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine is CC1=CC(C(C)C)=NC2N=C(C)N=C12.
What is the InChIKey of 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
The InChIKey is SDTYQXSWXFPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-6(2)9-5-7(3)10-11(14-9)13-8(4)12-10/h5-6,11H,1-4H3.
What are the key properties of 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine?
2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine is sourced from PubChem (CID 172546340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).