7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C13H14N2O — CID 165499776

IUPAC7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(C3(C)CC3)nc2c1
InChIInChI=1S/C13H14N2O/c1-9-3-6-15-10(8-16)12(13(2)4-5-13)14-11(15)7-9/h3,6-8H,4-5H2,1-2H3
InChIKeyDLNQTFFJJBLPIZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.51
Rot. Bonds2

About 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde

7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 165499776) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID165499776
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(C3(C)CC3)nc2c1
InChIInChI=1S/C13H14N2O/c1-9-3-6-15-10(8-16)12(13(2)4-5-13)14-11(15)7-9/h3,6-8H,4-5H2,1-2H3
InChIKeyDLNQTFFJJBLPIZ-UHFFFAOYSA-N
XLogP2.51
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
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 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 165499776) is 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccn2c(C=O)c(C3(C)CC3)nc2c1.
What is the InChIKey of 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is DLNQTFFJJBLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-3-6-15-10(8-16)12(13(2)4-5-13)14-11(15)7-9/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 165499776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).