N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide

C22H25F2N3O — CID 66991726

IUPACN-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(F)cc1)CC(C)(C)C
InChIInChI=1S/C22H25F2N3O/c1-14(12-22(2,3)4)11-19(28)26-21-20(15-5-7-16(23)8-6-15)27-13-17(24)9-10-18(27)25-21/h5-10,13-14H,11-12H2,1-4H3,(H,26,28)
InChIKeyKXVVSKAFNDJNRO-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.68
Rot. Bonds5

About N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide

N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide (PubChem CID 66991726) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide
PubChem CID66991726
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(F)cc1)CC(C)(C)C
InChIInChI=1S/C22H25F2N3O/c1-14(12-22(2,3)4)11-19(28)26-21-20(15-5-7-16(23)8-6-15)27-13-17(24)9-10-18(27)25-21/h5-10,13-14H,11-12H2,1-4H3,(H,26,28)
InChIKeyKXVVSKAFNDJNRO-UHFFFAOYSA-N
XLogP5.68
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide (CID 66991726) is N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide is CC(CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(F)cc1)CC(C)(C)C.
What is the InChIKey of N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide?
The InChIKey is KXVVSKAFNDJNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-14(12-22(2,3)4)11-19(28)26-21-20(15-5-7-16(23)8-6-15)27-13-17(24)9-10-18(27)25-21/h5-10,13-14H,11-12H2,1-4H3,(H,26,28).
What are the key properties of N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide?
N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide has a molecular weight of 385.46 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 66991726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).