7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one

C19H14N6O3S — CID 11304305

IUPAC7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one
SMILESCCn1c(-c2nonc2N)nc2cnc(Sc3ccc4ccc(=O)oc4c3)cc21
InChIInChI=1S/C19H14N6O3S/c1-2-25-13-8-15(21-9-12(13)22-19(25)17-18(20)24-28-23-17)29-11-5-3-10-4-6-16(26)27-14(10)7-11/h3-9H,2H2,1H3,(H2,20,24)
InChIKeyNQCOUFBDJCOOJU-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.34
Rot. Bonds4

About 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one

7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one (PubChem CID 11304305) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one.

Molecular Properties

Compound Name7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one
PubChem CID11304305
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC Name7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one
SMILESCCn1c(-c2nonc2N)nc2cnc(Sc3ccc4ccc(=O)oc4c3)cc21
InChIInChI=1S/C19H14N6O3S/c1-2-25-13-8-15(21-9-12(13)22-19(25)17-18(20)24-28-23-17)29-11-5-3-10-4-6-16(26)27-14(10)7-11/h3-9H,2H2,1H3,(H2,20,24)
InChIKeyNQCOUFBDJCOOJU-UHFFFAOYSA-N
XLogP3.34
TPSA125.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11462778
4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11750639
5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one
CID 68872396
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-2-methylphenyl]acetamide
CID 68871426
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethyl]benzamide
CID 68872118
4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 10149349
4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 68872168
4-(4,6-dichloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59868395
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
CID 68873043
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one
CID 68870307
7-ethylsulfanylchromen-2-one
CID 177163934
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one?
The IUPAC name of 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one (CID 11304305) is 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one.
What is the SMILES notation for 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one?
The canonical SMILES for 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one is CCn1c(-c2nonc2N)nc2cnc(Sc3ccc4ccc(=O)oc4c3)cc21.
What is the InChIKey of 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one?
The InChIKey is NQCOUFBDJCOOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c1-2-25-13-8-15(21-9-12(13)22-19(25)17-18(20)24-28-23-17)29-11-5-3-10-4-6-16(26)27-14(10)7-11/h3-9H,2H2,1H3,(H2,20,24).
What are the key properties of 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one?
7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one has a molecular weight of 406.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]sulfanylchromen-2-one is sourced from PubChem (CID 11304305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).