3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one

C21H17F2N5O — CID 171913159

IUPAC3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(n2cnc(-c3ccc(F)c(F)c3)c2-c2cnc3ccccn23)C1=O
InChIInChI=1S/C21H17F2N5O/c1-26-9-7-16(21(26)29)28-12-25-19(13-5-6-14(22)15(23)10-13)20(28)17-11-24-18-4-2-3-8-27(17)18/h2-6,8,10-12,16H,7,9H2,1H3
InChIKeyVHYOZEQXECCFEW-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.55
Rot. Bonds3

About 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one

3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 171913159) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID171913159
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(n2cnc(-c3ccc(F)c(F)c3)c2-c2cnc3ccccn23)C1=O
InChIInChI=1S/C21H17F2N5O/c1-26-9-7-16(21(26)29)28-12-25-19(13-5-6-14(22)15(23)10-13)20(28)17-11-24-18-4-2-3-8-27(17)18/h2-6,8,10-12,16H,7,9H2,1H3
InChIKeyVHYOZEQXECCFEW-UHFFFAOYSA-N
XLogP3.55
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one (CID 171913159) is 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(n2cnc(-c3ccc(F)c(F)c3)c2-c2cnc3ccccn23)C1=O.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is VHYOZEQXECCFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-26-9-7-16(21(26)29)28-12-25-19(13-5-6-14(22)15(23)10-13)20(28)17-11-24-18-4-2-3-8-27(17)18/h2-6,8,10-12,16H,7,9H2,1H3.
What are the key properties of 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 393.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)-5-imidazo[1,2-a]pyridin-3-ylimidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 171913159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).