N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

C20H18N4O3S — CID 155520151

IUPACN-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1
InChIInChI=1S/C20H18N4O3S/c1-28(26,27)23-17-4-2-3-16(9-17)18-12-24-19(10-22-20(24)11-21-18)15-7-5-14(13-25)6-8-15/h2-12,23,25H,13H2,1H3
InChIKeyUNPDJGOLDVPNAS-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (PubChem CID 155520151) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
PubChem CID155520151
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1
InChIInChI=1S/C20H18N4O3S/c1-28(26,27)23-17-4-2-3-16(9-17)18-12-24-19(10-22-20(24)11-21-18)15-7-5-14(13-25)6-8-15/h2-12,23,25H,13H2,1H3
InChIKeyUNPDJGOLDVPNAS-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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Related Compounds

(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
1-[3-[7-[5-(Hydroxymethyl)pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547307
1-[3-[7-[4-(2-Hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547594
(4-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenyl)methanol
CID 44406517
[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 44427151
N-[6-[3-(hydroxymethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49790220
[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
CID 71553143
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (CID 155520151) is N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1.
What is the InChIKey of N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The InChIKey is UNPDJGOLDVPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-28(26,27)23-17-4-2-3-16(9-17)18-12-24-19(10-22-20(24)11-21-18)15-7-5-14(13-25)6-8-15/h2-12,23,25H,13H2,1H3.
What are the key properties of N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
N-[3-[3-[4-(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-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155520151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).