N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

C20H18N4O3S — CID 155547148

IUPACN-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccc(CO)c4)cnc3cn2)c1
InChIInChI=1S/C20H18N4O3S/c1-28(26,27)23-17-7-3-5-15(9-17)18-12-24-19(10-22-20(24)11-21-18)16-6-2-4-14(8-16)13-25/h2-12,23,25H,13H2,1H3
InChIKeyDFRDOUYTQAGHHY-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (PubChem CID 155547148) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
PubChem CID155547148
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccc(CO)c4)cnc3cn2)c1
InChIInChI=1S/C20H18N4O3S/c1-28(26,27)23-17-7-3-5-15(9-17)18-12-24-19(10-22-20(24)11-21-18)16-6-2-4-14(8-16)13-25/h2-12,23,25H,13H2,1H3
InChIKeyDFRDOUYTQAGHHY-UHFFFAOYSA-N
XLogP2.93
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (CID 155547148) is N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccc(CO)c4)cnc3cn2)c1.
What is the InChIKey of N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The InChIKey is DFRDOUYTQAGHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-28(26,27)23-17-7-3-5-15(9-17)18-12-24-19(10-22-20(24)11-21-18)16-6-2-4-14(8-16)13-25/h2-12,23,25H,13H2,1H3.
What are the key properties of N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155547148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).