N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

C19H18F4N4O — CID 66991912

IUPACN-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F4N4O/c1-18(2,3)9-15(28)26-17-16(27-10-11(20)7-8-14(27)25-17)12-5-4-6-13(24-12)19(21,22)23/h4-8,10H,9H2,1-3H3,(H,26,28)
InChIKeyIVXDHFDDCKRMML-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.93
Rot. Bonds3

About N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 66991912) has the molecular formula C19H18F4N4O and a molecular weight of 394.37 g/mol. Its IUPAC name is N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID66991912
Molecular FormulaC19H18F4N4O
Molecular Weight394.37 g/mol
Exact Mass394.14
IUPAC NameN-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F4N4O/c1-18(2,3)9-15(28)26-17-16(27-10-11(20)7-8-14(27)25-17)12-5-4-6-13(24-12)19(21,22)23/h4-8,10H,9H2,1-3H3,(H,26,28)
InChIKeyIVXDHFDDCKRMML-UHFFFAOYSA-N
XLogP4.93
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (CID 66991912) is N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is IVXDHFDDCKRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O/c1-18(2,3)9-15(28)26-17-16(27-10-11(20)7-8-14(27)25-17)12-5-4-6-13(24-12)19(21,22)23/h4-8,10H,9H2,1-3H3,(H,26,28).
What are the key properties of N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 394.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66991912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).