2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde

C12H15N3O — CID 83887573

IUPAC2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde
SMILESCC(C)c1nc2cc(CC=O)cnc2n1C
InChIInChI=1S/C12H15N3O/c1-8(2)11-14-10-6-9(4-5-16)7-13-12(10)15(11)3/h5-8H,4H2,1-3H3
InChIKeyJRJIHYQWAMXXOS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde

2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde (PubChem CID 83887573) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde
PubChem CID83887573
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde
SMILESCC(C)c1nc2cc(CC=O)cnc2n1C
InChIInChI=1S/C12H15N3O/c1-8(2)11-14-10-6-9(4-5-16)7-13-12(10)15(11)3/h5-8H,4H2,1-3H3
InChIKeyJRJIHYQWAMXXOS-UHFFFAOYSA-N
XLogP1.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde
CID 83886605
2-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)ethanamine
CID 83877519
2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde
CID 21043926
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine
CID 141490565
(3-methyl-2-methylsulfanylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84676289
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93210060
6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 163320821
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride
CID 166794703
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
CID 169232947

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde?
The IUPAC name of 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde (CID 83887573) is 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde?
The canonical SMILES for 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde is CC(C)c1nc2cc(CC=O)cnc2n1C.
What is the InChIKey of 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde?
The InChIKey is JRJIHYQWAMXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)11-14-10-6-9(4-5-16)7-13-12(10)15(11)3/h5-8H,4H2,1-3H3.
What are the key properties of 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde?
2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde has a molecular weight of 217.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)acetaldehyde is sourced from PubChem (CID 83887573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).