N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide

C26H23N5O3S — CID 155558989

IUPACN-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1cnc2c(Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)nccn12
InChIInChI=1S/C26H23N5O3S/c1-18-7-13-21(14-8-18)35(32,33)30-20-11-9-19(10-12-20)29-25-26-28-17-23(31(26)16-15-27-25)22-5-3-4-6-24(22)34-2/h3-17,30H,1-2H3,(H,27,29)
InChIKeyHTHYUVDFHSDZIH-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide

N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 155558989) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide
PubChem CID155558989
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC NameN-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1cnc2c(Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)nccn12
InChIInChI=1S/C26H23N5O3S/c1-18-7-13-21(14-8-18)35(32,33)30-20-11-9-19(10-12-20)29-25-26-28-17-23(31(26)16-15-27-25)22-5-3-4-6-24(22)34-2/h3-17,30H,1-2H3,(H,27,29)
InChIKeyHTHYUVDFHSDZIH-UHFFFAOYSA-N
XLogP5.26
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide (CID 155558989) is N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide is COc1ccccc1-c1cnc2c(Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)nccn12.
What is the InChIKey of N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HTHYUVDFHSDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-18-7-13-21(14-8-18)35(32,33)30-20-11-9-19(10-12-20)29-25-26-28-17-23(31(26)16-15-27-25)22-5-3-4-6-24(22)34-2/h3-17,30H,1-2H3,(H,27,29).
What are the key properties of N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide?
N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 485.57 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 155558989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).