N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide

C21H21F3N6O3S — CID 146544774

IUPACN-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(C1CC1)N1Cc2cc(-c3cnc4c(N)nc(C(F)(F)F)cn34)ccc2C1=O
InChIInChI=1S/C21H21F3N6O3S/c1-34(32,33)27-8-16(11-2-3-11)30-9-13-6-12(4-5-14(13)20(30)31)15-7-26-19-18(25)28-17(10-29(15)19)21(22,23)24/h4-7,10-11,16,27H,2-3,8-9H2,1H3,(H2,25,28)
InChIKeyRSOXTAFVQURKGR-UHFFFAOYSA-N
MW494.50 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide

N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide (PubChem CID 146544774) has the molecular formula C21H21F3N6O3S and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide
PubChem CID146544774
Molecular FormulaC21H21F3N6O3S
Molecular Weight494.50 g/mol
Exact Mass494.13
IUPAC NameN-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(C1CC1)N1Cc2cc(-c3cnc4c(N)nc(C(F)(F)F)cn34)ccc2C1=O
InChIInChI=1S/C21H21F3N6O3S/c1-34(32,33)27-8-16(11-2-3-11)30-9-13-6-12(4-5-14(13)20(30)31)15-7-26-19-18(25)28-17(10-29(15)19)21(22,23)24/h4-7,10-11,16,27H,2-3,8-9H2,1H3,(H2,25,28)
InChIKeyRSOXTAFVQURKGR-UHFFFAOYSA-N
XLogP2.28
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide?
The IUPAC name of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide (CID 146544774) is N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide?
The canonical SMILES for N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide is CS(=O)(=O)NCC(C1CC1)N1Cc2cc(-c3cnc4c(N)nc(C(F)(F)F)cn34)ccc2C1=O.
What is the InChIKey of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide?
The InChIKey is RSOXTAFVQURKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O3S/c1-34(32,33)27-8-16(11-2-3-11)30-9-13-6-12(4-5-14(13)20(30)31)15-7-26-19-18(25)28-17(10-29(15)19)21(22,23)24/h4-7,10-11,16,27H,2-3,8-9H2,1H3,(H2,25,28).
What are the key properties of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide?
N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide has a molecular weight of 494.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]methanesulfonamide is sourced from PubChem (CID 146544774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).