5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide

C32H37N5O3 — CID 118725965

About 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide

5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide (PubChem CID 118725965) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide
• PubChem CID: 118725965
• Molecular Formula: C32H37N5O3
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.29
• IUPAC Name: 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide
• SMILES: CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cc(C)ncn4)ccc31)C2
• InChI: InChI=1S/C32H37N5O3/c1-21-14-28(35-20-34-21)24-5-8-26-22(15-24)6-9-29(26)37-18-32(19-37)10-12-36(13-11-32)30(38)16-23-4-7-25(40-3)17-27(23)31(39)33-2/h4-5,7-8,14-15,17,20,29H,6,9-13,16,18-19H2,1-3H3,(H,33,39)/t29-/m1/s1
• InChIKey: KYKBYZPNOABCDQ-GDLZYMKVSA-N
• XLogP: 3.97
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide?

The IUPAC name of 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide (CID 118725965) is 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide is CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cc(C)ncn4)ccc31)C2.

What is the InChIKey of 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide?

The InChIKey is KYKBYZPNOABCDQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-21-14-28(35-20-34-21)24-5-8-26-22(15-24)6-9-29(26)37-18-32(19-37)10-12-36(13-11-32)30(38)16-23-4-7-25(40-3)17-27(23)31(39)33-2/h4-5,7-8,14-15,17,20,29H,6,9-13,16,18-19H2,1-3H3,(H,33,39)/t29-/m1/s1.

What are the key properties of 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide?

5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide has a molecular weight of 539.68 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-methyl-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 118725965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).