2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide

C20H24F5N3O — CID 66991434

IUPAC2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(C)(C)Cc1c(NC(=O)CC2CCCC2(F)F)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C20H24F5N3O/c1-18(2,3)10-14-17(27-16(29)9-12-5-4-8-19(12,21)22)26-15-7-6-13(11-28(14)15)20(23,24)25/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,27,29)
InChIKeyZIZAQZQTHLZCBQ-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.71
Rot. Bonds4

About 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide

2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 66991434) has the molecular formula C20H24F5N3O and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID66991434
Molecular FormulaC20H24F5N3O
Molecular Weight417.42 g/mol
Exact Mass417.18
IUPAC Name2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(C)(C)Cc1c(NC(=O)CC2CCCC2(F)F)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C20H24F5N3O/c1-18(2,3)10-14-17(27-16(29)9-12-5-4-8-19(12,21)22)26-15-7-6-13(11-28(14)15)20(23,24)25/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,27,29)
InChIKeyZIZAQZQTHLZCBQ-UHFFFAOYSA-N
XLogP5.71
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 66991434) is 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide is CC(C)(C)Cc1c(NC(=O)CC2CCCC2(F)F)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is ZIZAQZQTHLZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F5N3O/c1-18(2,3)10-14-17(27-16(29)9-12-5-4-8-19(12,21)22)26-15-7-6-13(11-28(14)15)20(23,24)25/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,27,29).
What are the key properties of 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 417.42 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 66991434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).