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

C12H14N4O — CID 84693537

IUPAC2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one
SMILESCC(N)C(=O)c1cnc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C12H14N4O/c1-6(13)10(17)8-4-9-12(14-5-8)16-11(15-9)7-2-3-7/h4-7H,2-3,13H2,1H3,(H,14,15,16)
InChIKeyZWIXXKQCSZTYPN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.37
Rot. Bonds3

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

2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one (PubChem CID 84693537) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one
PubChem CID84693537
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one
SMILESCC(N)C(=O)c1cnc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C12H14N4O/c1-6(13)10(17)8-4-9-12(14-5-8)16-11(15-9)7-2-3-7/h4-7H,2-3,13H2,1H3,(H,14,15,16)
InChIKeyZWIXXKQCSZTYPN-UHFFFAOYSA-N
XLogP1.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
2-cyclohexyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80502932
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821326
2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 106893193
6-chloro-2-cyclohexyl-1H-imidazo[4,5-b]pyridine
CID 82142257
2-amino-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone
CID 84683736
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
6-methyl-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79795877
2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 104520363
methyl 2-(1-chloroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 104663584
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79795345
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052784

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one (CID 84693537) is 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one is CC(N)C(=O)c1cnc2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one?
The InChIKey is ZWIXXKQCSZTYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-6(13)10(17)8-4-9-12(14-5-8)16-11(15-9)7-2-3-7/h4-7H,2-3,13H2,1H3,(H,14,15,16).
What are the key properties of 2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one?
2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one has a molecular weight of 230.27 g/mol, XLogP of 1.37, 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-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one is sourced from PubChem (CID 84693537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).