2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one

C17H18N2OS — CID 54764920

IUPAC2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
SMILESO=C1NCC2(CCCCC2)c2sc(-c3ccncc3)cc21
InChIInChI=1S/C17H18N2OS/c20-16-13-10-14(12-4-8-18-9-5-12)21-15(13)17(11-19-16)6-2-1-3-7-17/h4-5,8-10H,1-3,6-7,11H2,(H,19,20)
InChIKeyNOGYXCAXQBBUIR-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.76
Rot. Bonds1

About 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one

2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one (PubChem CID 54764920) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
PubChem CID54764920
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
SMILESO=C1NCC2(CCCCC2)c2sc(-c3ccncc3)cc21
InChIInChI=1S/C17H18N2OS/c20-16-13-10-14(12-4-8-18-9-5-12)21-15(13)17(11-19-16)6-2-1-3-7-17/h4-5,8-10H,1-3,6-7,11H2,(H,19,20)
InChIKeyNOGYXCAXQBBUIR-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
The IUPAC name of 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one (CID 54764920) is 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
The canonical SMILES for 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one is O=C1NCC2(CCCCC2)c2sc(-c3ccncc3)cc21.
What is the InChIKey of 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
The InChIKey is NOGYXCAXQBBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-16-13-10-14(12-4-8-18-9-5-12)21-15(13)17(11-19-16)6-2-1-3-7-17/h4-5,8-10H,1-3,6-7,11H2,(H,19,20).
What are the key properties of 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one is sourced from PubChem (CID 54764920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).