N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

C23H25FN4O — CID 66991764

IUPACN-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(C(C)(C)C#N)c1
InChIInChI=1S/C23H25FN4O/c1-22(2,3)12-19(29)27-21-20(28-13-17(24)9-10-18(28)26-21)15-7-6-8-16(11-15)23(4,5)14-25/h6-11,13H,12H2,1-5H3,(H,27,29)
InChIKeyFXOGEUUSNXOPEM-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.32
Rot. Bonds4

About N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 66991764) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID66991764
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(C(C)(C)C#N)c1
InChIInChI=1S/C23H25FN4O/c1-22(2,3)12-19(29)27-21-20(28-13-17(24)9-10-18(28)26-21)15-7-6-8-16(11-15)23(4,5)14-25/h6-11,13H,12H2,1-5H3,(H,27,29)
InChIKeyFXOGEUUSNXOPEM-UHFFFAOYSA-N
XLogP5.32
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (CID 66991764) is N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(C(C)(C)C#N)c1.
What is the InChIKey of N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is FXOGEUUSNXOPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-22(2,3)12-19(29)27-21-20(28-13-17(24)9-10-18(28)26-21)15-7-6-8-16(11-15)23(4,5)14-25/h6-11,13H,12H2,1-5H3,(H,27,29).
What are the key properties of N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 392.48 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-cyanopropan-2-yl)phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66991764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).