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

C19H19N5O5S — CID 74507752

IUPAC2-[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
SMILESCOc1ccc(-c2noc(C3Cc4nc[nH]c4CN3C(=O)CSCC(=O)O)n2)cc1
InChIInChI=1S/C19H19N5O5S/c1-28-12-4-2-11(3-5-12)18-22-19(29-23-18)15-6-13-14(21-10-20-13)7-24(15)16(25)8-30-9-17(26)27/h2-5,10,15H,6-9H2,1H3,(H,20,21)(H,26,27)
InChIKeyASTXRSFUTCCRCW-UHFFFAOYSA-N
MW429.46 g/mol
LogP1.91
Rot. Bonds7

About 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

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 (PubChem CID 74507752) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID74507752
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC Name2-[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
SMILESCOc1ccc(-c2noc(C3Cc4nc[nH]c4CN3C(=O)CSCC(=O)O)n2)cc1
InChIInChI=1S/C19H19N5O5S/c1-28-12-4-2-11(3-5-12)18-22-19(29-23-18)15-6-13-14(21-10-20-13)7-24(15)16(25)8-30-9-17(26)27/h2-5,10,15H,6-9H2,1H3,(H,20,21)(H,26,27)
InChIKeyASTXRSFUTCCRCW-UHFFFAOYSA-N
XLogP1.91
TPSA134.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(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
[(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-[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
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)-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
5-[(6S)-5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 26744932
3-(4-methoxyphenyl)-5-[(6S)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744942
(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745045
N-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2noc(C3Cc4nc[nH]c4CN3C(=O)CSCC(=O)O)n2)cc1.
What is the InChIKey of 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?
The InChIKey is ASTXRSFUTCCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-28-12-4-2-11(3-5-12)18-22-19(29-23-18)15-6-13-14(21-10-20-13)7-24(15)16(25)8-30-9-17(26)27/h2-5,10,15H,6-9H2,1H3,(H,20,21)(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 429.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 74507752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).