1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C21H18N4O3S — CID 46957575

IUPAC1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccn2)no1)N1CCc2sccc2C1c1ccco1
InChIInChI=1S/C21H18N4O3S/c26-19(7-6-18-23-21(24-28-18)15-4-1-2-10-22-15)25-11-8-17-14(9-13-29-17)20(25)16-5-3-12-27-16/h1-5,9-10,12-13,20H,6-8,11H2
InChIKeyCYRDPYWRESUSIH-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.89
Rot. Bonds5

About 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 46957575) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID46957575
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccn2)no1)N1CCc2sccc2C1c1ccco1
InChIInChI=1S/C21H18N4O3S/c26-19(7-6-18-23-21(24-28-18)15-4-1-2-10-22-15)25-11-8-17-14(9-13-29-17)20(25)16-5-3-12-27-16/h1-5,9-10,12-13,20H,6-8,11H2
InChIKeyCYRDPYWRESUSIH-UHFFFAOYSA-N
XLogP3.89
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 46957575) is 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is O=C(CCc1nc(-c2ccccn2)no1)N1CCc2sccc2C1c1ccco1.
What is the InChIKey of 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is CYRDPYWRESUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c26-19(7-6-18-23-21(24-28-18)15-4-1-2-10-22-15)25-11-8-17-14(9-13-29-17)20(25)16-5-3-12-27-16/h1-5,9-10,12-13,20H,6-8,11H2.
What are the key properties of 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 406.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 46957575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).