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

C32H31FN6O5S — CID 58127013

IUPAC2-[[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
SMILESC[C@@H]1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5C(N)=O)s4)nc23)C[C@H](C)O1
InChIInChI=1S/C32H31FN6O5S/c1-19-15-38(16-20(2)44-19)26(40)17-37-10-11-39-31(42)28(43-18-21-6-4-3-5-7-21)27(36-32(37)39)30-35-14-24(45-30)12-22-8-9-23(33)13-25(22)29(34)41/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H2,34,41)/t19-,20+
InChIKeyAJAPVFRVCIFZDL-BGYRXZFFSA-N
MW630.70 g/mol
LogP3.66
Rot. Bonds9

About 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

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 (PubChem CID 58127013) has the molecular formula C32H31FN6O5S and a molecular weight of 630.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID58127013
Molecular FormulaC32H31FN6O5S
Molecular Weight630.70 g/mol
Exact Mass630.21
IUPAC Name2-[[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
SMILESC[C@@H]1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5C(N)=O)s4)nc23)C[C@H](C)O1
InChIInChI=1S/C32H31FN6O5S/c1-19-15-38(16-20(2)44-19)26(40)17-37-10-11-39-31(42)28(43-18-21-6-4-3-5-7-21)27(36-32(37)39)30-35-14-24(45-30)12-22-8-9-23(33)13-25(22)29(34)41/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H2,34,41)/t19-,20+
InChIKeyAJAPVFRVCIFZDL-BGYRXZFFSA-N
XLogP3.66
TPSA134.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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
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
5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylbenzamide
CID 135911640
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
7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
CID 143919712
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 58126984
6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
CID 88973523
6-butoxy-1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidine-7-carbothioic S-acid
CID 88973538
benzyl N-[4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-5-phenylmethoxy-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]carbamate
CID 71100907
5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 58126863

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5C(N)=O)s4)nc23)C[C@H](C)O1.
What is the InChIKey of 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?
The InChIKey is AJAPVFRVCIFZDL-BGYRXZFFSA-N. The full InChI is InChI=1S/C32H31FN6O5S/c1-19-15-38(16-20(2)44-19)26(40)17-37-10-11-39-31(42)28(43-18-21-6-4-3-5-7-21)27(36-32(37)39)30-35-14-24(45-30)12-22-8-9-23(33)13-25(22)29(34)41/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H2,34,41)/t19-,20+.
What are the key properties of 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?
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 has a molecular weight of 630.70 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58127013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).