4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C20H16N6O3S — CID 135931629

IUPAC4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESN#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C20H16N6O3S/c21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29/h1-9,12,27H,11H2,(H,23,24)(H2,22,28,29)
InChIKeyVXGDYZURILRZJN-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.23
Rot. Bonds5

About 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135931629) has the molecular formula C20H16N6O3S and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135931629
Molecular FormulaC20H16N6O3S
Molecular Weight420.45 g/mol
Exact Mass420.10
IUPAC Name4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESN#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C20H16N6O3S/c21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29/h1-9,12,27H,11H2,(H,23,24)(H2,22,28,29)
InChIKeyVXGDYZURILRZJN-UHFFFAOYSA-N
XLogP2.23
TPSA146.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135931629) is 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.
What is the InChIKey of 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is VXGDYZURILRZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S/c21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29/h1-9,12,27H,11H2,(H,23,24)(H2,22,28,29).
What are the key properties of 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 420.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135931629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).