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

C31H29ClFN5O4S — CID 163728736

IUPAC7-[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
SMILESCC1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(Cl)c5)s4)nc23)C[C@H](C)O1
InChIInChI=1S/C31H29ClFN5O4S/c1-19-15-37(16-20(2)42-19)26(39)17-36-10-11-38-30(40)28(41-18-21-6-4-3-5-7-21)27(35-31(36)38)29-34-14-23(43-29)12-22-8-9-25(33)24(32)13-22/h3-11,13-14,19-20H,12,15-18H2,1-2H3/t19-,20?/m0/s1
InChIKeyKXUMSUIYNHKIDL-XJDOXCRVSA-N
MW622.12 g/mol
LogP5.22
Rot. Bonds8

About 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

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 (PubChem CID 163728736) has the molecular formula C31H29ClFN5O4S and a molecular weight of 622.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID163728736
Molecular FormulaC31H29ClFN5O4S
Molecular Weight622.12 g/mol
Exact Mass621.16
IUPAC Name7-[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
SMILESCC1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(Cl)c5)s4)nc23)C[C@H](C)O1
InChIInChI=1S/C31H29ClFN5O4S/c1-19-15-37(16-20(2)42-19)26(39)17-36-10-11-38-30(40)28(41-18-21-6-4-3-5-7-21)27(35-31(36)38)29-34-14-23(43-29)12-22-8-9-25(33)24(32)13-22/h3-11,13-14,19-20H,12,15-18H2,1-2H3/t19-,20?/m0/s1
InChIKeyKXUMSUIYNHKIDL-XJDOXCRVSA-N
XLogP5.22
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.12
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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
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
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
methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
CID 66922402
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
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
2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43958205
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(Cl)c5)s4)nc23)C[C@H](C)O1.
What is the InChIKey of 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?
The InChIKey is KXUMSUIYNHKIDL-XJDOXCRVSA-N. The full InChI is InChI=1S/C31H29ClFN5O4S/c1-19-15-37(16-20(2)42-19)26(39)17-36-10-11-38-30(40)28(41-18-21-6-4-3-5-7-21)27(35-31(36)38)29-34-14-23(43-29)12-22-8-9-25(33)24(32)13-22/h3-11,13-14,19-20H,12,15-18H2,1-2H3/t19-,20?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 622.12 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163728736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).