2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane

C18H17F2N3O — CID 162759634

IUPAC2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
SMILESC1CC1.Cc1c(F)cccc1-c1cc(F)c2nc(N)c(C=O)n2c1
InChIInChI=1S/C15H11F2N3O.C3H6/c1-8-10(3-2-4-11(8)16)9-5-12(17)15-19-14(18)13(7-21)20(15)6-9;1-2-3-1/h2-7H,18H2,1H3;1-3H2
InChIKeyOATVQJKRVCGAKF-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.15
Rot. Bonds2

About 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane

2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane (PubChem CID 162759634) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane.

Molecular Properties

Compound Name2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
PubChem CID162759634
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
SMILESC1CC1.Cc1c(F)cccc1-c1cc(F)c2nc(N)c(C=O)n2c1
InChIInChI=1S/C15H11F2N3O.C3H6/c1-8-10(3-2-4-11(8)16)9-5-12(17)15-19-14(18)13(7-21)20(15)6-9;1-2-3-1/h2-7H,18H2,1H3;1-3H2
InChIKeyOATVQJKRVCGAKF-UHFFFAOYSA-N
XLogP4.15
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
The IUPAC name of 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane (CID 162759634) is 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane.
What is the SMILES notation for 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
The canonical SMILES for 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane is C1CC1.Cc1c(F)cccc1-c1cc(F)c2nc(N)c(C=O)n2c1.
What is the InChIKey of 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
The InChIKey is OATVQJKRVCGAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O.C3H6/c1-8-10(3-2-4-11(8)16)9-5-12(17)15-19-14(18)13(7-21)20(15)6-9;1-2-3-1/h2-7H,18H2,1H3;1-3H2.
What are the key properties of 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane has a molecular weight of 329.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane is sourced from PubChem (CID 162759634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).