N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

C20H19F4N3O2 — CID 66991059

IUPACN-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F4N3O2/c1-19(2,3)10-16(28)26-18-17(27-11-13(21)6-9-15(27)25-18)12-4-7-14(8-5-12)29-20(22,23)24/h4-9,11H,10H2,1-3H3,(H,26,28)
InChIKeyAYTRFWKDNDDTNQ-UHFFFAOYSA-N
MW409.38 g/mol
LogP5.41
Rot. Bonds4

About N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 66991059) has the molecular formula C20H19F4N3O2 and a molecular weight of 409.38 g/mol. Its IUPAC name is N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID66991059
Molecular FormulaC20H19F4N3O2
Molecular Weight409.38 g/mol
Exact Mass409.14
IUPAC NameN-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F4N3O2/c1-19(2,3)10-16(28)26-18-17(27-11-13(21)6-9-15(27)25-18)12-4-7-14(8-5-12)29-20(22,23)24/h4-9,11H,10H2,1-3H3,(H,26,28)
InChIKeyAYTRFWKDNDDTNQ-UHFFFAOYSA-N
XLogP5.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
CID 66991766
N-[6-fluoro-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 66991855
N-[6-fluoro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 66991912
(2S)-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]oxolane-2-carboxamide
CID 66991379
N-(6-fluoro-3-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)-3,3-dimethylbutanamide
CID 25196868
N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 66991764
2-cyclopropyl-N-[6-fluoro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 66991488
2-(4-fluorophenyl)-N-(6-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 25196652
N-[3-(3,4-difluorophenyl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
CID 66992002
4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 87377181
3,3-dimethyl-N-[6-methyl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-2-yl]butanamide
CID 118941508
3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130359669

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (CID 66991059) is N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is AYTRFWKDNDDTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O2/c1-19(2,3)10-16(28)26-18-17(27-11-13(21)6-9-15(27)25-18)12-4-7-14(8-5-12)29-20(22,23)24/h4-9,11H,10H2,1-3H3,(H,26,28).
What are the key properties of N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 409.38 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66991059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).