2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde

C14H13N3O — CID 82388345

IUPAC2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
SMILESCc1cc(C)c(-c2cn3c(C=O)cccc3n2)[nH]1
InChIInChI=1S/C14H13N3O/c1-9-6-10(2)15-14(9)12-7-17-11(8-18)4-3-5-13(17)16-12/h3-8,15H,1-2H3
InChIKeyWUHFKRUIBMWPIT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.76
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde

2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde (PubChem CID 82388345) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
PubChem CID82388345
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
SMILESCc1cc(C)c(-c2cn3c(C=O)cccc3n2)[nH]1
InChIInChI=1S/C14H13N3O/c1-9-6-10(2)15-14(9)12-7-17-11(8-18)4-3-5-13(17)16-12/h3-8,15H,1-2H3
InChIKeyWUHFKRUIBMWPIT-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde (CID 82388345) is 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde is Cc1cc(C)c(-c2cn3c(C=O)cccc3n2)[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
The InChIKey is WUHFKRUIBMWPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-6-10(2)15-14(9)12-7-17-11(8-18)4-3-5-13(17)16-12/h3-8,15H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde has a molecular weight of 239.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 82388345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).