8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one

C29H41N7O3 — CID 155922141

About 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one

8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 155922141) has the molecular formula C29H41N7O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
• PubChem CID: 155922141
• Molecular Formula: C29H41N7O3
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.33
• IUPAC Name: 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
• SMILES: CCc1nc(N2CC3(CCN(C(=O)CN(C)C)CC3)N(Cc3cccc(OC)c3)C2=O)ccc1C1CNNC1
• InChI: InChI=1S/C29H41N7O3/c1-5-25-24(22-16-30-31-17-22)9-10-26(32-25)35-20-29(11-13-34(14-12-29)27(37)19-33(2)3)36(28(35)38)18-21-7-6-8-23(15-21)39-4/h6-10,15,22,30-31H,5,11-14,16-20H2,1-4H3
• InChIKey: DIYYMYDLFZTPKJ-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 93.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 155922141) is 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is CCc1nc(N2CC3(CCN(C(=O)CN(C)C)CC3)N(Cc3cccc(OC)c3)C2=O)ccc1C1CNNC1.

What is the InChIKey of 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?

The InChIKey is DIYYMYDLFZTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O3/c1-5-25-24(22-16-30-31-17-22)9-10-26(32-25)35-20-29(11-13-34(14-12-29)27(37)19-33(2)3)36(28(35)38)18-21-7-6-8-23(15-21)39-4/h6-10,15,22,30-31H,5,11-14,16-20H2,1-4H3.

What are the key properties of 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?

8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 535.69 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(dimethylamino)acetyl]-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155922141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).