2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane

C19H23FN4O — CID 162759579

IUPAC2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane
SMILESC1CC1.CF.Cc1ccc(N)cc1-c1ccc2nc(N)c(C=O)n2c1
InChIInChI=1S/C15H14N4O.C3H6.CH3F/c1-9-2-4-11(16)6-12(9)10-3-5-14-18-15(17)13(8-20)19(14)7-10;1-2-3-1;1-2/h2-8H,16-17H2,1H3;1-3H2;1H3
InChIKeySMZSQXAHCKRSNA-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.04
Rot. Bonds2

About 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane

2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane (PubChem CID 162759579) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane.

Molecular Properties

Compound Name2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane
PubChem CID162759579
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane
SMILESC1CC1.CF.Cc1ccc(N)cc1-c1ccc2nc(N)c(C=O)n2c1
InChIInChI=1S/C15H14N4O.C3H6.CH3F/c1-9-2-4-11(16)6-12(9)10-3-5-14-18-15(17)13(8-20)19(14)7-10;1-2-3-1;1-2/h2-8H,16-17H2,1H3;1-3H2;1H3
InChIKeySMZSQXAHCKRSNA-UHFFFAOYSA-N
XLogP4.04
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane?
The IUPAC name of 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane (CID 162759579) is 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane.
What is the SMILES notation for 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane?
The canonical SMILES for 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane is C1CC1.CF.Cc1ccc(N)cc1-c1ccc2nc(N)c(C=O)n2c1.
What is the InChIKey of 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane?
The InChIKey is SMZSQXAHCKRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O.C3H6.CH3F/c1-9-2-4-11(16)6-12(9)10-3-5-14-18-15(17)13(8-20)19(14)7-10;1-2-3-1;1-2/h2-8H,16-17H2,1H3;1-3H2;1H3.
What are the key properties of 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane?
2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane has a molecular weight of 342.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane is sourced from PubChem (CID 162759579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).