2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C24H28N4O2 — CID 158852546

IUPAC2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(C)nc(N2CCC3(CCN(CC4=CCc5ccccc54)C3=O)CC2)n1
InChIInChI=1S/C24H28N4O2/c1-17-15-21(30-2)26-23(25-17)27-12-9-24(10-13-27)11-14-28(22(24)29)16-19-8-7-18-5-3-4-6-20(18)19/h3-6,8,15H,7,9-14,16H2,1-2H3
InChIKeyIZQJRQRBBIKSPW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.25
Rot. Bonds4

About 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 158852546) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID158852546
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(C)nc(N2CCC3(CCN(CC4=CCc5ccccc54)C3=O)CC2)n1
InChIInChI=1S/C24H28N4O2/c1-17-15-21(30-2)26-23(25-17)27-12-9-24(10-13-27)11-14-28(22(24)29)16-19-8-7-18-5-3-4-6-20(18)19/h3-6,8,15H,7,9-14,16H2,1-2H3
InChIKeyIZQJRQRBBIKSPW-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 158852546) is 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is COc1cc(C)nc(N2CCC3(CCN(CC4=CCc5ccccc54)C3=O)CC2)n1.
What is the InChIKey of 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IZQJRQRBBIKSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-15-21(30-2)26-23(25-17)27-12-9-24(10-13-27)11-14-28(22(24)29)16-19-8-7-18-5-3-4-6-20(18)19/h3-6,8,15H,7,9-14,16H2,1-2H3.
What are the key properties of 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 158852546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).