2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid

C19H19N5O5 — CID 38344332

IUPAC2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)COCC(=O)O)n2)cc1
InChIInChI=1S/C19H19N5O5/c1-11-2-4-12(5-3-11)18-22-19(29-23-18)15-6-13-14(21-10-20-13)7-24(15)16(25)8-28-9-17(26)27/h2-5,10,15H,6-9H2,1H3,(H,20,21)(H,26,27)/t15-/m0/s1
InChIKeyZZCOWNYZXBWFBD-HNNXBMFYSA-N
MW397.39 g/mol
LogP1.50
Rot. Bonds6

About 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid

2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid (PubChem CID 38344332) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid
PubChem CID38344332
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)COCC(=O)O)n2)cc1
InChIInChI=1S/C19H19N5O5/c1-11-2-4-12(5-3-11)18-22-19(29-23-18)15-6-13-14(21-10-20-13)7-24(15)16(25)8-28-9-17(26)27/h2-5,10,15H,6-9H2,1H3,(H,20,21)(H,26,27)/t15-/m0/s1
InChIKeyZZCOWNYZXBWFBD-HNNXBMFYSA-N
XLogP1.50
TPSA134.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid with MolForge

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Related Compounds

2-[2-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]sulfanylacetic acid
CID 74507752
5-[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 26745059
(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507740
N-(4-methylphenyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507714
[(6S)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 26745126
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 74507745
cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507741
2-(4-methoxyphenyl)-1-[(6S)-6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 26745101
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26744796
N-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
(6S)-N-phenyl-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745091
(6S)-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 28961098

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid (CID 38344332) is 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid is Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)COCC(=O)O)n2)cc1.
What is the InChIKey of 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid?
The InChIKey is ZZCOWNYZXBWFBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-11-2-4-12(5-3-11)18-22-19(29-23-18)15-6-13-14(21-10-20-13)7-24(15)16(25)8-28-9-17(26)27/h2-5,10,15H,6-9H2,1H3,(H,20,21)(H,26,27)/t15-/m0/s1.
What are the key properties of 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid?
2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid has a molecular weight of 397.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 38344332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).