[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone

C23H17N5O2S — CID 74507723

IUPAC[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1Cc2[nH]cnc2CC1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C23H17N5O2S/c29-23(20-6-3-9-31-20)28-12-18-17(24-13-25-18)11-19(28)22-26-21(27-30-22)16-8-7-14-4-1-2-5-15(14)10-16/h1-10,13,19H,11-12H2,(H,24,25)
InChIKeyCLHQXWAZYWFALD-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.61
Rot. Bonds3

About [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone

[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone (PubChem CID 74507723) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
PubChem CID74507723
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1Cc2[nH]cnc2CC1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C23H17N5O2S/c29-23(20-6-3-9-31-20)28-12-18-17(24-13-25-18)11-19(28)22-26-21(27-30-22)16-8-7-14-4-1-2-5-15(14)10-16/h1-10,13,19H,11-12H2,(H,24,25)
InChIKeyCLHQXWAZYWFALD-UHFFFAOYSA-N
XLogP4.61
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
N-(3-fluorophenyl)-6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507729
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
5-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 74507576
[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
[(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
(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)-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
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-benzyl-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26761979
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
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

Frequently Asked Questions

What is the IUPAC name of [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone (CID 74507723) is [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1Cc2[nH]cnc2CC1c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The InChIKey is CLHQXWAZYWFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c29-23(20-6-3-9-31-20)28-12-18-17(24-13-25-18)11-19(28)22-26-21(27-30-22)16-8-7-14-4-1-2-5-15(14)10-16/h1-10,13,19H,11-12H2,(H,24,25).
What are the key properties of [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone has a molecular weight of 427.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 74507723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).