4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C21H18N6O2S — CID 126474611

IUPAC4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc5[nH]ccc5c4)cnc23)cc1
InChIInChI=1S/C21H18N6O2S/c22-30(28,29)17-4-1-14(2-5-17)12-25-20-21-26-13-19(27(21)10-9-24-20)16-3-6-18-15(11-16)7-8-23-18/h1-11,13,23H,12H2,(H,24,25)(H2,22,28,29)
InChIKeyAJRVCUXNZZUEED-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.14
Rot. Bonds5

About 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 126474611) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID126474611
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC Name4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc5[nH]ccc5c4)cnc23)cc1
InChIInChI=1S/C21H18N6O2S/c22-30(28,29)17-4-1-14(2-5-17)12-25-20-21-26-13-19(27(21)10-9-24-20)16-3-6-18-15(11-16)7-8-23-18/h1-11,13,23H,12H2,(H,24,25)(H2,22,28,29)
InChIKeyAJRVCUXNZZUEED-UHFFFAOYSA-N
XLogP3.14
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 126474611) is 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc5[nH]ccc5c4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is AJRVCUXNZZUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c22-30(28,29)17-4-1-14(2-5-17)12-25-20-21-26-13-19(27(21)10-9-24-20)16-3-6-18-15(11-16)7-8-23-18/h1-11,13,23H,12H2,(H,24,25)(H2,22,28,29).
What are the key properties of 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 418.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 126474611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).