N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide

C22H23N5O3S — CID 89431321

IUPACN-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(NS(C)(=O)=O)cc4)nccn23)cc1C
InChIInChI=1S/C22H23N5O3S/c1-15-12-17(6-9-20(15)30-2)19-14-25-22-21(23-10-11-27(19)22)24-13-16-4-7-18(8-5-16)26-31(3,28)29/h4-12,14,26H,13H2,1-3H3,(H,23,24)
InChIKeyVTDFDXFMFVXQJP-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.70
Rot. Bonds7

About N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide

N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 89431321) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID89431321
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(NS(C)(=O)=O)cc4)nccn23)cc1C
InChIInChI=1S/C22H23N5O3S/c1-15-12-17(6-9-20(15)30-2)19-14-25-22-21(23-10-11-27(19)22)24-13-16-4-7-18(8-5-16)26-31(3,28)29/h4-12,14,26H,13H2,1-3H3,(H,23,24)
InChIKeyVTDFDXFMFVXQJP-UHFFFAOYSA-N
XLogP3.70
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide (CID 89431321) is N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide is COc1ccc(-c2cnc3c(NCc4ccc(NS(C)(=O)=O)cc4)nccn23)cc1C.
What is the InChIKey of N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is VTDFDXFMFVXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-15-12-17(6-9-20(15)30-2)19-14-25-22-21(23-10-11-27(19)22)24-13-16-4-7-18(8-5-16)26-31(3,28)29/h4-12,14,26H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide?
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 437.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 89431321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).