Skip to content

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

C32H30FN5O6S — CID 91147021

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[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
SMILESCC1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5C(=O)O)s4)nc23)CC(C)O1
InChIInChI=1S/C32H30FN5O6S/c1-19-15-37(16-20(2)44-19)26(39)17-36-10-11-38-30(40)28(43-18-21-6-4-3-5-7-21)27(35-32(36)38)29-34-14-24(45-29)12-22-8-9-23(33)13-25(22)31(41)42/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H,41,42)
InChIKeyVHZBHYDMQHUUDM-UHFFFAOYSA-N
MW631.69 g/mol
LogP4.26
Rot. Bonds9

About 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

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 (PubChem CID 91147021) has the molecular formula C32H30FN5O6S and a molecular weight of 631.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID91147021
Molecular FormulaC32H30FN5O6S
Molecular Weight631.69 g/mol
Exact Mass631.19
IUPAC Name2-[[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
SMILESCC1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5C(=O)O)s4)nc23)CC(C)O1
InChIInChI=1S/C32H30FN5O6S/c1-19-15-37(16-20(2)44-19)26(39)17-36-10-11-38-30(40)28(43-18-21-6-4-3-5-7-21)27(35-32(36)38)29-34-14-24(45-29)12-22-8-9-23(33)13-25(22)31(41)42/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H,41,42)
InChIKeyVHZBHYDMQHUUDM-UHFFFAOYSA-N
XLogP4.26
TPSA128.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5C(=O)O)s4)nc23)CC(C)O1.
What is the InChIKey of 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?
The InChIKey is VHZBHYDMQHUUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O6S/c1-19-15-37(16-20(2)44-19)26(39)17-36-10-11-38-30(40)28(43-18-21-6-4-3-5-7-21)27(35-32(36)38)29-34-14-24(45-29)12-22-8-9-23(33)13-25(22)31(41)42/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H,41,42).
What are the key properties of 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?
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 has a molecular weight of 631.69 g/mol, XLogP of 4.26, 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-(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 is sourced from PubChem (CID 91147021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.