2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone

C11H14N4O — CID 84683736

IUPAC2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone
SMILESCC(C)c1nc2ncc(C(=O)CN)cc2[nH]1
InChIInChI=1S/C11H14N4O/c1-6(2)10-14-8-3-7(9(16)4-12)5-13-11(8)15-10/h3,5-6H,4,12H2,1-2H3,(H,13,14,15)
InChIKeyVHAJAVRRQVFSEW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.22
Rot. Bonds3

About 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone

2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone (PubChem CID 84683736) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone
PubChem CID84683736
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone
SMILESCC(C)c1nc2ncc(C(=O)CN)cc2[nH]1
InChIInChI=1S/C11H14N4O/c1-6(2)10-14-8-3-7(9(16)4-12)5-13-11(8)15-10/h3,5-6H,4,12H2,1-2H3,(H,13,14,15)
InChIKeyVHAJAVRRQVFSEW-UHFFFAOYSA-N
XLogP1.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone?
The IUPAC name of 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone (CID 84683736) is 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone is CC(C)c1nc2ncc(C(=O)CN)cc2[nH]1.
What is the InChIKey of 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone?
The InChIKey is VHAJAVRRQVFSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-6(2)10-14-8-3-7(9(16)4-12)5-13-11(8)15-10/h3,5-6H,4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone?
2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone has a molecular weight of 218.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 84683736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).