imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol

C26H26N6O3 — CID 161245483

IUPACimidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol
SMILESCc1cnc2ccc(C=O)cn12.Cc1cnc2ccc(CO)cn12.OCc1ccc2nccn2c1
InChIInChI=1S/C9H10N2O.C9H8N2O.C8H8N2O/c2*1-7-4-10-9-3-2-8(6-12)5-11(7)9;11-6-7-1-2-8-9-3-4-10(8)5-7/h2-5,12H,6H2,1H3;2-6H,1H3;1-5,11H,6H2
InChIKeyVAOSSPCEGXUYLU-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.42
Rot. Bonds3

About imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol

imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol (PubChem CID 161245483) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol
PubChem CID161245483
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Nameimidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol
SMILESCc1cnc2ccc(C=O)cn12.Cc1cnc2ccc(CO)cn12.OCc1ccc2nccn2c1
InChIInChI=1S/C9H10N2O.C9H8N2O.C8H8N2O/c2*1-7-4-10-9-3-2-8(6-12)5-11(7)9;11-6-7-1-2-8-9-3-4-10(8)5-7/h2-5,12H,6H2,1H3;2-6H,1H3;1-5,11H,6H2
InChIKeyVAOSSPCEGXUYLU-UHFFFAOYSA-N
XLogP3.42
TPSA109.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol?
The IUPAC name of imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol (CID 161245483) is imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol.
What is the SMILES notation for imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol?
The canonical SMILES for imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol is Cc1cnc2ccc(C=O)cn12.Cc1cnc2ccc(CO)cn12.OCc1ccc2nccn2c1.
What is the InChIKey of imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol?
The InChIKey is VAOSSPCEGXUYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C9H8N2O.C8H8N2O/c2*1-7-4-10-9-3-2-8(6-12)5-11(7)9;11-6-7-1-2-8-9-3-4-10(8)5-7/h2-5,12H,6H2,1H3;2-6H,1H3;1-5,11H,6H2.
What are the key properties of imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol?
imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol has a molecular weight of 470.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-6-ylmethanol;3-methylimidazo[1,2-a]pyridine-6-carbaldehyde;(3-methylimidazo[1,2-a]pyridin-6-yl)methanol is sourced from PubChem (CID 161245483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).