[3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone

C24H21N5O4S — CID 122656216

IUPAC[3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc2c(c1)CS(=O)(=O)N2
InChIInChI=1S/C24H21N5O4S/c30-22(16-4-2-1-3-5-16)20-21(17-6-7-19-18(14-17)15-34(31,32)27-19)29-9-8-25-23(24(29)26-20)28-10-12-33-13-11-28/h1-9,14,27H,10-13,15H2
InChIKeyDQTZXUNAMPJHOB-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.72
Rot. Bonds4

About [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone

[3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone (PubChem CID 122656216) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone
PubChem CID122656216
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC Name[3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc2c(c1)CS(=O)(=O)N2
InChIInChI=1S/C24H21N5O4S/c30-22(16-4-2-1-3-5-16)20-21(17-6-7-19-18(14-17)15-34(31,32)27-19)29-9-8-25-23(24(29)26-20)28-10-12-33-13-11-28/h1-9,14,27H,10-13,15H2
InChIKeyDQTZXUNAMPJHOB-UHFFFAOYSA-N
XLogP2.72
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone with MolForge

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Related Compounds

N-methoxy-N-methyl-8-morpholin-4-yl-3-(4-phenylmethoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 122655936
4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122655955
1-amino-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one
CID 122663651
3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine
CID 122663692
4-[2-(4-fluorophenyl)-3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122656030
4-[3-(6-ethyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425321
5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122656008
8-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 50928582
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941
5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122656128
(5-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102544847

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone?
The IUPAC name of [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone (CID 122656216) is [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone?
The canonical SMILES for [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone is O=C(c1ccccc1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc2c(c1)CS(=O)(=O)N2.
What is the InChIKey of [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone?
The InChIKey is DQTZXUNAMPJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c30-22(16-4-2-1-3-5-16)20-21(17-6-7-19-18(14-17)15-34(31,32)27-19)29-9-8-25-23(24(29)26-20)28-10-12-33-13-11-28/h1-9,14,27H,10-13,15H2.
What are the key properties of [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone?
[3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone has a molecular weight of 475.53 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]-phenylmethanone is sourced from PubChem (CID 122656216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).