6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one

C13H16BrN3O3 — CID 169031004

IUPAC6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC1(O)CC(n2c(=O)[nH]c3cc(OCCBr)cnc32)C1
InChIInChI=1S/C13H16BrN3O3/c1-13(19)5-8(6-13)17-11-10(16-12(17)18)4-9(7-15-11)20-3-2-14/h4,7-8,19H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyAXADDWWCLGQRBJ-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.58
Rot. Bonds4

About 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one

6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 169031004) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID169031004
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC1(O)CC(n2c(=O)[nH]c3cc(OCCBr)cnc32)C1
InChIInChI=1S/C13H16BrN3O3/c1-13(19)5-8(6-13)17-11-10(16-12(17)18)4-9(7-15-11)20-3-2-14/h4,7-8,19H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyAXADDWWCLGQRBJ-UHFFFAOYSA-N
XLogP1.58
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide
CID 164584546
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide
CID 164584624
6-Phenoxy-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 22570441
n-(5-Amino-3-methoxypyridin-2-yl)acetamide
CID 45119277
6-(4-Methoxyphenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 56977704
5-Methoxy-6-(pyrrolidin-1-yl)pyridin-3-amine
CID 59432232
6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 59594579
6-Amino-3-methyloxazolo[4,5-b]pyridin-2(3H)-one
CID 67594858
6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
CID 68737232
[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
CID 69412211
(5-Amino-3-methoxy-2-pyridinyl)-methylcarbamic acid
CID 90022266
N-(5-amino-3-methoxy-2-pyridinyl)-N-methylcarbamic acid 1,1-dimethylethyl ester
CID 90054957

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 169031004) is 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one is CC1(O)CC(n2c(=O)[nH]c3cc(OCCBr)cnc32)C1.
What is the InChIKey of 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is AXADDWWCLGQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-13(19)5-8(6-13)17-11-10(16-12(17)18)4-9(7-15-11)20-3-2-14/h4,7-8,19H,2-3,5-6H2,1H3,(H,16,18).
What are the key properties of 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one?
6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 342.19 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethoxy)-3-(3-hydroxy-3-methylcyclobutyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 169031004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).