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

C20H18FN5O3S — CID 135998298

IUPAC3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1nc2c(NCc3cccc(S(N)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1
InChIInChI=1S/C20H18FN5O3S/c1-12-18(14-5-6-17(27)16(21)10-14)26-8-7-23-19(20(26)25-12)24-11-13-3-2-4-15(9-13)30(22,28)29/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29)
InChIKeyDMADVPOJOXTIDY-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.81
Rot. Bonds5

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

3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135998298) has the molecular formula C20H18FN5O3S and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135998298
Molecular FormulaC20H18FN5O3S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC Name3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1nc2c(NCc3cccc(S(N)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1
InChIInChI=1S/C20H18FN5O3S/c1-12-18(14-5-6-17(27)16(21)10-14)26-8-7-23-19(20(26)25-12)24-11-13-3-2-4-15(9-13)30(22,28)29/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29)
InChIKeyDMADVPOJOXTIDY-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 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135998298) is 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is Cc1nc2c(NCc3cccc(S(N)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1.
What is the InChIKey of 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is DMADVPOJOXTIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3S/c1-12-18(14-5-6-17(27)16(21)10-14)26-8-7-23-19(20(26)25-12)24-11-13-3-2-4-15(9-13)30(22,28)29/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29).
What are the key properties of 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
3-[[[3-(3-fluoro-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 3-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135998298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).