2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one

C17H19N3OS — CID 45109888

IUPAC2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
SMILESNc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1
InChIInChI=1S/C17H19N3OS/c18-14-8-11(4-7-19-14)13-9-12-15(22-13)17(10-20-16(12)21)5-2-1-3-6-17/h4,7-9H,1-3,5-6,10H2,(H2,18,19)(H,20,21)
InChIKeyOEUXNSIHZKZGHQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.34
Rot. Bonds1

About 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one

2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one (PubChem CID 45109888) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
PubChem CID45109888
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
SMILESNc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1
InChIInChI=1S/C17H19N3OS/c18-14-8-11(4-7-19-14)13-9-12-15(22-13)17(10-20-16(12)21)5-2-1-3-6-17/h4,7-9H,1-3,5-6,10H2,(H2,18,19)(H,20,21)
InChIKeyOEUXNSIHZKZGHQ-UHFFFAOYSA-N
XLogP3.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one (CID 45109888) is 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one is Nc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
The InChIKey is OEUXNSIHZKZGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-14-8-11(4-7-19-14)13-9-12-15(22-13)17(10-20-16(12)21)5-2-1-3-6-17/h4,7-9H,1-3,5-6,10H2,(H2,18,19)(H,20,21).
What are the key properties of 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one?
2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one has a molecular weight of 313.43 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one is sourced from PubChem (CID 45109888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).