8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one

C25H27N5O3 — CID 145064612

IUPAC8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c(CCN2CCC3(CC2)CCN(c2ccc4ncnn4c2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C25H27N5O3/c1-17-18(2-4-20-21(17)15-33-23(20)31)6-10-28-11-7-25(8-12-28)9-13-29(24(25)32)19-3-5-22-26-16-27-30(22)14-19/h2-5,14,16H,6-13,15H2,1H3
InChIKeyRLWHEIIKENQWED-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.77
Rot. Bonds4

About 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 145064612) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID145064612
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c(CCN2CCC3(CC2)CCN(c2ccc4ncnn4c2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C25H27N5O3/c1-17-18(2-4-20-21(17)15-33-23(20)31)6-10-28-11-7-25(8-12-28)9-13-29(24(25)32)19-3-5-22-26-16-27-30(22)14-19/h2-5,14,16H,6-13,15H2,1H3
InChIKeyRLWHEIIKENQWED-UHFFFAOYSA-N
XLogP2.77
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 145064612) is 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1c(CCN2CCC3(CC2)CCN(c2ccc4ncnn4c2)C3=O)ccc2c1COC2=O.
What is the InChIKey of 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RLWHEIIKENQWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-18(2-4-20-21(17)15-33-23(20)31)6-10-28-11-7-25(8-12-28)9-13-29(24(25)32)19-3-5-22-26-16-27-30(22)14-19/h2-5,14,16H,6-13,15H2,1H3.
What are the key properties of 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 445.52 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 145064612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).