2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid

C20H20ClN5O4 — CID 118631768

IUPAC2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCn1c(N2CCC[C@H]2C(=O)NCC(=O)O)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H20ClN5O4/c1-24-16(25-8-2-3-15(25)19(30)22-10-18(28)29)9-17(27)26-11-14(23-20(24)26)12-4-6-13(21)7-5-12/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,22,30)(H,28,29)/t15-/m0/s1
InChIKeyGPUOFASYYAONNV-HNNXBMFYSA-N
MW429.86 g/mol
LogP1.52
Rot. Bonds5

About 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 118631768) has the molecular formula C20H20ClN5O4 and a molecular weight of 429.86 g/mol. Its IUPAC name is 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID118631768
Molecular FormulaC20H20ClN5O4
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC Name2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCn1c(N2CCC[C@H]2C(=O)NCC(=O)O)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H20ClN5O4/c1-24-16(25-8-2-3-15(25)19(30)22-10-18(28)29)9-17(27)26-11-14(23-20(24)26)12-4-6-13(21)7-5-12/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,22,30)(H,28,29)/t15-/m0/s1
InChIKeyGPUOFASYYAONNV-HNNXBMFYSA-N
XLogP1.52
TPSA108.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid (CID 118631768) is 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid is Cn1c(N2CCC[C@H]2C(=O)NCC(=O)O)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is GPUOFASYYAONNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20ClN5O4/c1-24-16(25-8-2-3-15(25)19(30)22-10-18(28)29)9-17(27)26-11-14(23-20(24)26)12-4-6-13(21)7-5-12/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,22,30)(H,28,29)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 429.86 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-[2-(4-chlorophenyl)-8-methyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 118631768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).