N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide

C19H23F6N3O — CID 53372431

IUPACN-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)(C)Cc1c(NC(=O)CC(C)(C)C(F)(F)F)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H23F6N3O/c1-16(2,3)8-12-15(27-14(29)9-17(4,5)19(23,24)25)26-13-7-6-11(10-28(12)13)18(20,21)22/h6-7,10H,8-9H2,1-5H3,(H,27,29)
InChIKeyLTALHJVZFSSEGL-UHFFFAOYSA-N
MW423.40 g/mol
LogP5.86
Rot. Bonds4

About N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide

N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 53372431) has the molecular formula C19H23F6N3O and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID53372431
Molecular FormulaC19H23F6N3O
Molecular Weight423.40 g/mol
Exact Mass423.17
IUPAC NameN-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)(C)Cc1c(NC(=O)CC(C)(C)C(F)(F)F)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H23F6N3O/c1-16(2,3)8-12-15(27-14(29)9-17(4,5)19(23,24)25)26-13-7-6-11(10-28(12)13)18(20,21)22/h6-7,10H,8-9H2,1-5H3,(H,27,29)
InChIKeyLTALHJVZFSSEGL-UHFFFAOYSA-N
XLogP5.86
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.40
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 53372431) is N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide is CC(C)(C)Cc1c(NC(=O)CC(C)(C)C(F)(F)F)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is LTALHJVZFSSEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6N3O/c1-16(2,3)8-12-15(27-14(29)9-17(4,5)19(23,24)25)26-13-7-6-11(10-28(12)13)18(20,21)22/h6-7,10H,8-9H2,1-5H3,(H,27,29).
What are the key properties of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 423.40 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 53372431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).