3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C22H25N3O4 — CID 170881175

IUPAC3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCc1ccc2nc(-c3ccccc3)c(CC(NC(=O)OC(C)(C)C)C(=O)O)n2c1
InChIInChI=1S/C22H25N3O4/c1-14-10-11-18-24-19(15-8-6-5-7-9-15)17(25(18)13-14)12-16(20(26)27)23-21(28)29-22(2,3)4/h5-11,13,16H,12H2,1-4H3,(H,23,28)(H,26,27)
InChIKeyOPTYWJHCGDAEGS-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.83
Rot. Bonds5

About 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 170881175) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID170881175
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCc1ccc2nc(-c3ccccc3)c(CC(NC(=O)OC(C)(C)C)C(=O)O)n2c1
InChIInChI=1S/C22H25N3O4/c1-14-10-11-18-24-19(15-8-6-5-7-9-15)17(25(18)13-14)12-16(20(26)27)23-21(28)29-22(2,3)4/h5-11,13,16H,12H2,1-4H3,(H,23,28)(H,26,27)
InChIKeyOPTYWJHCGDAEGS-UHFFFAOYSA-N
XLogP3.83
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881184
3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880915
3-[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881163
3-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881616
(2S)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154814740
ethane;3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 176967438
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
CID 4623908
3-(2-methylnaphthalen-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880788
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
3-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882694
3-[2-(4-methylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880515
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880881

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 170881175) is 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is Cc1ccc2nc(-c3ccccc3)c(CC(NC(=O)OC(C)(C)C)C(=O)O)n2c1.
What is the InChIKey of 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is OPTYWJHCGDAEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-10-11-18-24-19(15-8-6-5-7-9-15)17(25(18)13-14)12-16(20(26)27)23-21(28)29-22(2,3)4/h5-11,13,16H,12H2,1-4H3,(H,23,28)(H,26,27).
What are the key properties of 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 395.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 170881175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).