2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C27H30N4O2S — CID 53390538

IUPAC2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1
InChIInChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3
InChIKeyJSJHUXMAZWAWGK-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.37
Rot. Bonds5

About 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 53390538) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID53390538
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC Name2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1
InChIInChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3
InChIKeyJSJHUXMAZWAWGK-UHFFFAOYSA-N
XLogP4.37
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 53390538) is 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is JSJHUXMAZWAWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3.
What are the key properties of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 474.63 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 53390538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).