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

C23H22FN5O3S — CID 52932881

IUPAC3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
SMILESCCC[C@H](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)/t19-/m0/s1
InChIKeyHLVXFNMDKSKZML-IBGZPJMESA-N
MW467.53 g/mol
LogP3.61
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide (PubChem CID 52932881) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
PubChem CID52932881
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
SMILESCCC[C@H](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)/t19-/m0/s1
InChIKeyHLVXFNMDKSKZML-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide (CID 52932881) is 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide is CCC[C@H](NC(=O)c1nccn2c(-c3ccc(F)cc3)ncc12)c1cncc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
The InChIKey is HLVXFNMDKSKZML-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide?
3-(4-fluorophenyl)-N-[(1S)-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-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide is sourced from PubChem (CID 52932881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).