N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C19H15F2N3O2 — CID 154686017

IUPACN-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)c1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3F)cn2c1
InChIInChI=1S/C19H15F2N3O2/c1-10(25)18-12(3-2-4-14(18)20)11-5-6-17-22-16(9-24(17)8-11)23-19(26)13-7-15(13)21/h2-6,8-9,13,15H,7H2,1H3,(H,23,26)
InChIKeyQFNRYOBADNZVKG-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.64
Rot. Bonds4

About N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 154686017) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID154686017
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)c1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3F)cn2c1
InChIInChI=1S/C19H15F2N3O2/c1-10(25)18-12(3-2-4-14(18)20)11-5-6-17-22-16(9-24(17)8-11)23-19(26)13-7-15(13)21/h2-6,8-9,13,15H,7H2,1H3,(H,23,26)
InChIKeyQFNRYOBADNZVKG-UHFFFAOYSA-N
XLogP3.64
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 154686017) is N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)c1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3F)cn2c1.
What is the InChIKey of N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is QFNRYOBADNZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-10(25)18-12(3-2-4-14(18)20)11-5-6-17-22-16(9-24(17)8-11)23-19(26)13-7-15(13)21/h2-6,8-9,13,15H,7H2,1H3,(H,23,26).
What are the key properties of N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 154686017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).