3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde

C18H11F2N5O — CID 24746039

IUPAC3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESNc1nccc(-c2c(-c3ccc(F)cc3F)nc3cc(C=O)ccn23)n1
InChIInChI=1S/C18H11F2N5O/c19-11-1-2-12(13(20)8-11)16-17(14-3-5-22-18(21)23-14)25-6-4-10(9-26)7-15(25)24-16/h1-9H,(H2,21,22,23)
InChIKeyCBTYHNRBULTEMQ-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.13
Rot. Bonds3

About 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde

3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 24746039) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID24746039
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESNc1nccc(-c2c(-c3ccc(F)cc3F)nc3cc(C=O)ccn23)n1
InChIInChI=1S/C18H11F2N5O/c19-11-1-2-12(13(20)8-11)16-17(14-3-5-22-18(21)23-14)25-6-4-10(9-26)7-15(25)24-16/h1-9H,(H2,21,22,23)
InChIKeyCBTYHNRBULTEMQ-UHFFFAOYSA-N
XLogP3.13
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde (CID 24746039) is 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde is Nc1nccc(-c2c(-c3ccc(F)cc3F)nc3cc(C=O)ccn23)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is CBTYHNRBULTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-11-1-2-12(13(20)8-11)16-17(14-3-5-22-18(21)23-14)25-6-4-10(9-26)7-15(25)24-16/h1-9H,(H2,21,22,23).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde has a molecular weight of 351.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 24746039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).