3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde

C11H13N3O2 — CID 84684645

IUPAC3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
SMILESCC(C)Oc1ccnc2c1nc(C=O)n2C
InChIInChI=1S/C11H13N3O2/c1-7(2)16-8-4-5-12-11-10(8)13-9(6-15)14(11)3/h4-7H,1-3H3
InChIKeySAWPHXVPPZIHAU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde

3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde (PubChem CID 84684645) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
PubChem CID84684645
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
SMILESCC(C)Oc1ccnc2c1nc(C=O)n2C
InChIInChI=1S/C11H13N3O2/c1-7(2)16-8-4-5-12-11-10(8)13-9(6-15)14(11)3/h4-7H,1-3H3
InChIKeySAWPHXVPPZIHAU-UHFFFAOYSA-N
XLogP1.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 84672242
1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84697473
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
CID 84681119
methoxymethane;4-propan-2-yloxypyrimidine-2-carbaldehyde
CID 142960710
2-chloro-3-fluoro-4-propan-2-yloxypyridine
CID 91620513
(7-propan-2-yloxy-[1,3]oxazolo[5,4-b]pyridin-2-yl)methanamine
CID 84675069
(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane
CID 23303939
9-methylpurine-8-carbaldehyde
CID 59036847
1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 84695709
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 57443579
4-propan-2-yloxyquinolin-8-amine
CID 83060477

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde?
The IUPAC name of 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde (CID 84684645) is 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde?
The canonical SMILES for 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde is CC(C)Oc1ccnc2c1nc(C=O)n2C.
What is the InChIKey of 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde?
The InChIKey is SAWPHXVPPZIHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)16-8-4-5-12-11-10(8)13-9(6-15)14(11)3/h4-7H,1-3H3.
What are the key properties of 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde?
3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde has a molecular weight of 219.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 84684645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).