3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide

C23H22FN5O3S — CID 75964675

IUPAC3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
SMILESCCCC(NC(=O)c1nccn2c(-c3ccc(F)cc3)ncc12)c1cncc(S(C)(=O)=O)c1
InChIInChI=1S/C23H22FN5O3S/c1-3-4-19(16-11-18(13-25-12-16)33(2,31)32)28-23(30)21-20-14-27-22(29(20)10-9-26-21)15-5-7-17(24)8-6-15/h5-14,19H,3-4H2,1-2H3,(H,28,30)
InChIKeyHLVXFNMDKSKZML-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.61
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide

3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide (PubChem CID 75964675) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
PubChem CID75964675
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
SMILESCCCC(NC(=O)c1nccn2c(-c3ccc(F)cc3)ncc12)c1cncc(S(C)(=O)=O)c1
InChIInChI=1S/C23H22FN5O3S/c1-3-4-19(16-11-18(13-25-12-16)33(2,31)32)28-23(30)21-20-14-27-22(29(20)10-9-26-21)15-5-7-17(24)8-6-15/h5-14,19H,3-4H2,1-2H3,(H,28,30)
InChIKeyHLVXFNMDKSKZML-UHFFFAOYSA-N
XLogP3.61
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US10774086, Example 5
CID 134551847
N-[3-[4-(2-fluorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146282407
N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4-methylsulfonylbenzamide
CID 52940645
N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,1-dioxothiane-4-carboxamide
CID 52940837
N-[1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-oxothiane-4-carboxamide
CID 52941095
2-(2,4-difluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24783299
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784075
2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784332
5-(4-fluorophenyl)-N,14-dimethyl-10-methylsulfonyl-3,6,10-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-4-carboxamide
CID 68063060
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71765015
N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide
CID 155461058
6-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415225

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide (CID 75964675) is 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide is CCCC(NC(=O)c1nccn2c(-c3ccc(F)cc3)ncc12)c1cncc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
The InChIKey is HLVXFNMDKSKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-3-4-19(16-11-18(13-25-12-16)33(2,31)32)28-23(30)21-20-14-27-22(29(20)10-9-26-21)15-5-7-17(24)8-6-15/h5-14,19H,3-4H2,1-2H3,(H,28,30).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide is sourced from PubChem (CID 75964675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).