1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one

C24H21FN6O3S — CID 122663669

IUPAC1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one
SMILESNN1C(=O)Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCS(=O)(=O)CC5)nccn34)ccc21
InChIInChI=1S/C24H21FN6O3S/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(32)31(19)26)30-8-7-27-23(24(30)28-21)29-9-11-35(33,34)12-10-29/h1-8,13H,9-12,14,26H2
InChIKeyMITKXRHTXILYPI-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.20
Rot. Bonds3

About 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one

1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one (PubChem CID 122663669) has the molecular formula C24H21FN6O3S and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one
PubChem CID122663669
Molecular FormulaC24H21FN6O3S
Molecular Weight492.54 g/mol
Exact Mass492.14
IUPAC Name1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one
SMILESNN1C(=O)Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCS(=O)(=O)CC5)nccn34)ccc21
InChIInChI=1S/C24H21FN6O3S/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(32)31(19)26)30-8-7-27-23(24(30)28-21)29-9-11-35(33,34)12-10-29/h1-8,13H,9-12,14,26H2
InChIKeyMITKXRHTXILYPI-UHFFFAOYSA-N
XLogP2.20
TPSA113.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one?
The IUPAC name of 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one (CID 122663669) is 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one.
What is the SMILES notation for 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one?
The canonical SMILES for 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one is NN1C(=O)Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCS(=O)(=O)CC5)nccn34)ccc21.
What is the InChIKey of 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one?
The InChIKey is MITKXRHTXILYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3S/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(32)31(19)26)30-8-7-27-23(24(30)28-21)29-9-11-35(33,34)12-10-29/h1-8,13H,9-12,14,26H2.
What are the key properties of 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one?
1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one has a molecular weight of 492.54 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one is sourced from PubChem (CID 122663669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).