2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone

C33H35FN6O4S — CID 143919777

IUPAC2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)CN2C=CN3C2=NC(c2ncc(Cc4ccc(F)cc4C4CN4)s2)=C(OCc2ccccc2)C3O)C[C@H](C)O1
InChIInChI=1S/C33H35FN6O4S/c1-20-16-39(17-21(2)44-20)28(41)18-38-10-11-40-32(42)30(43-19-22-6-4-3-5-7-22)29(37-33(38)40)31-36-14-25(45-31)12-23-8-9-24(34)13-26(23)27-15-35-27/h3-11,13-14,20-21,27,32,35,42H,12,15-19H2,1-2H3/t20-,21?,27?,32?/m0/s1
InChIKeyXEDPOTXWPYWBRC-HEIGPMINSA-N
MW630.75 g/mol
LogP3.82
Rot. Bonds9

About 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone

2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 143919777) has the molecular formula C33H35FN6O4S and a molecular weight of 630.75 g/mol. Its IUPAC name is 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID143919777
Molecular FormulaC33H35FN6O4S
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)CN2C=CN3C2=NC(c2ncc(Cc4ccc(F)cc4C4CN4)s2)=C(OCc2ccccc2)C3O)C[C@H](C)O1
InChIInChI=1S/C33H35FN6O4S/c1-20-16-39(17-21(2)44-20)28(41)18-38-10-11-40-32(42)30(43-19-22-6-4-3-5-7-22)29(37-33(38)40)31-36-14-25(45-31)12-23-8-9-24(34)13-26(23)27-15-35-27/h3-11,13-14,20-21,27,32,35,42H,12,15-19H2,1-2H3/t20-,21?,27?,32?/m0/s1
InChIKeyXEDPOTXWPYWBRC-HEIGPMINSA-N
XLogP3.82
TPSA112.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.75
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-5-fluorobenzoic acid
CID 91147021
2-[[2-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-5-fluorobenzamide
CID 58127013
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
CID 58126917
7-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
CID 163728736
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
CID 66922584
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512396
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18199415
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574055

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone (CID 143919777) is 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone is CC1CN(C(=O)CN2C=CN3C2=NC(c2ncc(Cc4ccc(F)cc4C4CN4)s2)=C(OCc2ccccc2)C3O)C[C@H](C)O1.
What is the InChIKey of 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is XEDPOTXWPYWBRC-HEIGPMINSA-N. The full InChI is InChI=1S/C33H35FN6O4S/c1-20-16-39(17-21(2)44-20)28(41)18-38-10-11-40-32(42)30(43-19-22-6-4-3-5-7-22)29(37-33(38)40)31-36-14-25(45-31)12-23-8-9-24(34)13-26(23)27-15-35-27/h3-11,13-14,20-21,27,32,35,42H,12,15-19H2,1-2H3/t20-,21?,27?,32?/m0/s1.
What are the key properties of 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 630.75 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[5-[[2-(aziridin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-phenylmethoxy-5H-imidazo[1,2-a]pyrimidin-1-yl]-1-[(2S)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 143919777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).