2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C20H18FN5O3S — CID 135998289

IUPAC2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1nc2c(NCc3ccc(F)c(S(N)(=O)=O)c3)nccn2c1-c1ccc(O)cc1
InChIInChI=1S/C20H18FN5O3S/c1-12-18(14-3-5-15(27)6-4-14)26-9-8-23-19(20(26)25-12)24-11-13-2-7-16(21)17(10-13)30(22,28)29/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29)
InChIKeySHADEPPXLQGCKK-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.81
Rot. Bonds5

About 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135998289) has the molecular formula C20H18FN5O3S and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135998289
Molecular FormulaC20H18FN5O3S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC Name2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1nc2c(NCc3ccc(F)c(S(N)(=O)=O)c3)nccn2c1-c1ccc(O)cc1
InChIInChI=1S/C20H18FN5O3S/c1-12-18(14-3-5-15(27)6-4-14)26-9-8-23-19(20(26)25-12)24-11-13-2-7-16(21)17(10-13)30(22,28)29/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29)
InChIKeySHADEPPXLQGCKK-UHFFFAOYSA-N
XLogP2.81
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135998289) is 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is Cc1nc2c(NCc3ccc(F)c(S(N)(=O)=O)c3)nccn2c1-c1ccc(O)cc1.
What is the InChIKey of 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is SHADEPPXLQGCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3S/c1-12-18(14-3-5-15(27)6-4-14)26-9-8-23-19(20(26)25-12)24-11-13-2-7-16(21)17(10-13)30(22,28)29/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29).
What are the key properties of 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 427.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135998289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).