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

C18H24F3N3O — CID 66992189

IUPACN-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cn2c1CC(C)(C)C
InChIInChI=1S/C18H24F3N3O/c1-11(2)8-15(25)23-16-13(9-17(3,4)5)24-10-12(18(19,20)21)6-7-14(24)22-16/h6-7,10-11H,8-9H2,1-5H3,(H,23,25)
InChIKeyZNISCDYTUGPJPZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.93
Rot. Bonds4

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

N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide (PubChem CID 66992189) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
PubChem CID66992189
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cn2c1CC(C)(C)C
InChIInChI=1S/C18H24F3N3O/c1-11(2)8-15(25)23-16-13(9-17(3,4)5)24-10-12(18(19,20)21)6-7-14(24)22-16/h6-7,10-11H,8-9H2,1-5H3,(H,23,25)
InChIKeyZNISCDYTUGPJPZ-UHFFFAOYSA-N
XLogP4.93
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.93
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]-3-methylbutanamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide (CID 66992189) is N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cn2c1CC(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
The InChIKey is ZNISCDYTUGPJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-11(2)8-15(25)23-16-13(9-17(3,4)5)24-10-12(18(19,20)21)6-7-14(24)22-16/h6-7,10-11H,8-9H2,1-5H3,(H,23,25).
What are the key properties of N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide has a molecular weight of 355.40 g/mol, XLogP of 4.93, 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]-3-methylbutanamide is sourced from PubChem (CID 66992189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).