[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine

C13H15FN4O2S — CID 102920759

IUPAC[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H15FN4O2S/c14-11-2-1-10(8-15)12(7-11)21(19,20)18-6-5-17-4-3-16-13(17)9-18/h1-4,7H,5-6,8-9,15H2
InChIKeyCQZWYSPLOFUCDP-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.69
Rot. Bonds3

About [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine

[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine (PubChem CID 102920759) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
PubChem CID102920759
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H15FN4O2S/c14-11-2-1-10(8-15)12(7-11)21(19,20)18-6-5-17-4-3-16-13(17)9-18/h1-4,7H,5-6,8-9,15H2
InChIKeyCQZWYSPLOFUCDP-UHFFFAOYSA-N
XLogP0.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920270
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
CID 63322328
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
CID 63013184
[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
CID 107090764
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine
CID 63014488
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63018949
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline
CID 63021245
8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 58877974
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110712742
(3S,4S)-4-[4-[2-(aminomethyl)-5-fluorophenyl]sulfonylpiperazin-1-yl]-N,N-dimethyloxolan-3-amine
CID 58877931

Frequently Asked Questions

What is the IUPAC name of [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine (CID 102920759) is [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1S(=O)(=O)N1CCn2ccnc2C1.
What is the InChIKey of [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine?
The InChIKey is CQZWYSPLOFUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c14-11-2-1-10(8-15)12(7-11)21(19,20)18-6-5-17-4-3-16-13(17)9-18/h1-4,7H,5-6,8-9,15H2.
What are the key properties of [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine?
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine has a molecular weight of 310.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 102920759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).