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

C26H30N6O2 — CID 53390459

IUPAC2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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(-n5nccn5)ccc42)C3)nc1
InChIInChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3
InChIKeyNOLZCWDIRAGCGH-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.83
Rot. Bonds5

About 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 53390459) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID53390459
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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(-n5nccn5)ccc42)C3)nc1
InChIInChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3
InChIKeyNOLZCWDIRAGCGH-UHFFFAOYSA-N
XLogP2.83
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 53390459) is 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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-(triazol-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-(triazol-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(-n5nccn5)ccc42)C3)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is NOLZCWDIRAGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3.
What are the key properties of 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-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-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 458.57 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 53390459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).