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

C20H17N5O4S — CID 135931666

IUPAC4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c(C=O)c4)cnc23)cc1
InChIInChI=1S/C20H17N5O4S/c21-30(28,29)16-4-1-13(2-5-16)10-23-19-20-24-11-17(25(20)8-7-22-19)14-3-6-18(27)15(9-14)12-26/h1-9,11-12,27H,10H2,(H,22,23)(H2,21,28,29)
InChIKeyKDKLIAPCSBOQRU-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.17
Rot. Bonds6

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

4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135931666) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135931666
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC Name4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c(C=O)c4)cnc23)cc1
InChIInChI=1S/C20H17N5O4S/c21-30(28,29)16-4-1-13(2-5-16)10-23-19-20-24-11-17(25(20)8-7-22-19)14-3-6-18(27)15(9-14)12-26/h1-9,11-12,27H,10H2,(H,22,23)(H2,21,28,29)
InChIKeyKDKLIAPCSBOQRU-UHFFFAOYSA-N
XLogP2.17
TPSA139.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135931666) is 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c(C=O)c4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is KDKLIAPCSBOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c21-30(28,29)16-4-1-13(2-5-16)10-23-19-20-24-11-17(25(20)8-7-22-19)14-3-6-18(27)15(9-14)12-26/h1-9,11-12,27H,10H2,(H,22,23)(H2,21,28,29).
What are the key properties of 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 423.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135931666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).