4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C20H18FN5O3S — CID 135998286

IUPAC4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1cn2c(-c3ccc(O)cc3F)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H18FN5O3S/c1-12-11-26-18(16-7-4-14(27)8-17(16)21)10-24-20(26)19(25-12)23-9-13-2-5-15(6-3-13)30(22,28)29/h2-8,10-11,27H,9H2,1H3,(H,23,25)(H2,22,28,29)
InChIKeyBQNOFCQEOPFIFQ-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.81
Rot. Bonds5

About 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135998286) has the molecular formula C20H18FN5O3S and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135998286
Molecular FormulaC20H18FN5O3S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC Name4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1cn2c(-c3ccc(O)cc3F)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H18FN5O3S/c1-12-11-26-18(16-7-4-14(27)8-17(16)21)10-24-20(26)19(25-12)23-9-13-2-5-15(6-3-13)30(22,28)29/h2-8,10-11,27H,9H2,1H3,(H,23,25)(H2,22,28,29)
InChIKeyBQNOFCQEOPFIFQ-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 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135998286) is 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is Cc1cn2c(-c3ccc(O)cc3F)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is BQNOFCQEOPFIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3S/c1-12-11-26-18(16-7-4-14(27)8-17(16)21)10-24-20(26)19(25-12)23-9-13-2-5-15(6-3-13)30(22,28)29/h2-8,10-11,27H,9H2,1H3,(H,23,25)(H2,22,28,29).
What are the key properties of 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-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 4-[[[3-(2-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135998286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).