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

C21H21N5O4S — CID 135931637

IUPAC4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nc(C)cn23)ccc1O
InChIInChI=1S/C21H21N5O4S/c1-13-12-26-17(15-5-8-18(27)19(9-15)30-2)11-24-21(26)20(25-13)23-10-14-3-6-16(7-4-14)31(22,28)29/h3-9,11-12,27H,10H2,1-2H3,(H,23,25)(H2,22,28,29)
InChIKeyHFGJJEKAMQSQHA-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.68
Rot. Bonds6

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

4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135931637) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135931637
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nc(C)cn23)ccc1O
InChIInChI=1S/C21H21N5O4S/c1-13-12-26-17(15-5-8-18(27)19(9-15)30-2)11-24-21(26)20(25-13)23-10-14-3-6-16(7-4-14)31(22,28)29/h3-9,11-12,27H,10H2,1-2H3,(H,23,25)(H2,22,28,29)
InChIKeyHFGJJEKAMQSQHA-UHFFFAOYSA-N
XLogP2.68
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135931637) is 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is COc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nc(C)cn23)ccc1O.
What is the InChIKey of 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is HFGJJEKAMQSQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-13-12-26-17(15-5-8-18(27)19(9-15)30-2)11-24-21(26)20(25-13)23-10-14-3-6-16(7-4-14)31(22,28)29/h3-9,11-12,27H,10H2,1-2H3,(H,23,25)(H2,22,28,29).
What are the key properties of 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 439.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135931637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).