ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

C21H19F2N5O2 — CID 135233380

IUPACethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4cccc(C)n4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H19F2N5O2/c1-3-30-21(29)16-9-24-18-8-7-14(10-28(16)18)20-19(15-6-4-5-13(2)26-15)25-12-27(20)11-17(22)23/h4-10,12,17H,3,11H2,1-2H3
InChIKeyZKVRHFZVUIGZPL-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.01
Rot. Bonds6

About ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 135233380) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID135233380
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Nameethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4cccc(C)n4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H19F2N5O2/c1-3-30-21(29)16-9-24-18-8-7-14(10-28(16)18)20-19(15-6-4-5-13(2)26-15)25-12-27(20)11-17(22)23/h4-10,12,17H,3,11H2,1-2H3
InChIKeyZKVRHFZVUIGZPL-UHFFFAOYSA-N
XLogP4.01
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 135233380) is ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3c(-c4cccc(C)n4)ncn3CC(F)F)cn12.
What is the InChIKey of ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ZKVRHFZVUIGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-3-30-21(29)16-9-24-18-8-7-14(10-28(16)18)20-19(15-6-4-5-13(2)26-15)25-12-27(20)11-17(22)23/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 411.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 135233380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).