3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

C18H16N6OS — CID 74507574

IUPAC3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESc1csc(CN2Cc3[nH]cnc3CC2c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C18H16N6OS/c1-2-13(26-7-1)9-24-10-15-14(20-11-21-15)8-16(24)18-22-17(23-25-18)12-3-5-19-6-4-12/h1-7,11,16H,8-10H2,(H,20,21)
InChIKeyLTGJSVCMWYTPTL-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.22
Rot. Bonds4

About 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (PubChem CID 74507574) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
PubChem CID74507574
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESc1csc(CN2Cc3[nH]cnc3CC2c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C18H16N6OS/c1-2-13(26-7-1)9-24-10-15-14(20-11-21-15)8-16(24)18-22-17(23-25-18)12-3-5-19-6-4-12/h1-7,11,16H,8-10H2,(H,20,21)
InChIKeyLTGJSVCMWYTPTL-UHFFFAOYSA-N
XLogP3.22
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

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
N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide
CID 163168475
5-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 74507576
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-pyrazin-2-yl-5-[(6S)-5-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744742
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744812
(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
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26744796
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744806
4-[[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 74507577
4-[[6-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 163140079
5-[(6S)-5-[(4-nitrophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26744732

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (CID 74507574) is 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is c1csc(CN2Cc3[nH]cnc3CC2c2nc(-c3ccncc3)no2)c1.
What is the InChIKey of 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The InChIKey is LTGJSVCMWYTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-2-13(26-7-1)9-24-10-15-14(20-11-21-15)8-16(24)18-22-17(23-25-18)12-3-5-19-6-4-12/h1-7,11,16H,8-10H2,(H,20,21).
What are the key properties of 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole has a molecular weight of 364.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 74507574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).