N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide

C20H22FN3O — CID 70943933

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12)C(C)(C)C
InChIInChI=1S/C20H22FN3O/c1-13(20(2,3)4)22-19(25)18-23-17(14-8-10-15(21)11-9-14)16-7-5-6-12-24(16)18/h5-13H,1-4H3,(H,22,25)/t13-/m1/s1
InChIKeyJYNJWZOFNIVJJF-CYBMUJFWSA-N
MW339.41 g/mol
LogP4.30
Rot. Bonds3

About N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide

N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 70943933) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID70943933
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12)C(C)(C)C
InChIInChI=1S/C20H22FN3O/c1-13(20(2,3)4)22-19(25)18-23-17(14-8-10-15(21)11-9-14)16-7-5-6-12-24(16)18/h5-13H,1-4H3,(H,22,25)/t13-/m1/s1
InChIKeyJYNJWZOFNIVJJF-CYBMUJFWSA-N
XLogP4.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 70943933) is N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JYNJWZOFNIVJJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13(20(2,3)4)22-19(25)18-23-17(14-8-10-15(21)11-9-14)16-7-5-6-12-24(16)18/h5-13H,1-4H3,(H,22,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 70943933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).