[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C18H15F2N3O4 — CID 40510204

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)nc2c1
InChIInChI=1S/C18H15F2N3O4/c1-11-6-7-23-9-14(22-15(23)8-11)17(25)26-10-16(24)21-12-2-4-13(5-3-12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,24)
InChIKeyHLSTVOZUHFZTKS-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.04
Rot. Bonds6

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 40510204) has the molecular formula C18H15F2N3O4 and a molecular weight of 375.33 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID40510204
Molecular FormulaC18H15F2N3O4
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)nc2c1
InChIInChI=1S/C18H15F2N3O4/c1-11-6-7-23-9-14(22-15(23)8-11)17(25)26-10-16(24)21-12-2-4-13(5-3-12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,24)
InChIKeyHLSTVOZUHFZTKS-UHFFFAOYSA-N
XLogP3.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560755
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40520208
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560770
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 2388111
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274917
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226382
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
[2-(4-bromo-3-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247028
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305269
thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 166262248

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 40510204) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)nc2c1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is HLSTVOZUHFZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4/c1-11-6-7-23-9-14(22-15(23)8-11)17(25)26-10-16(24)21-12-2-4-13(5-3-12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,24).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 375.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 40510204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).