1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C34H36N8O4 — CID 154182009

About 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 154182009) has the molecular formula C34H36N8O4 and a molecular weight of 620.71 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 154182009
• Molecular Formula: C34H36N8O4
• Molecular Weight: 620.71 g/mol
• Exact Mass: 620.29
• IUPAC Name: 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COc1cc(N2C(=O)N(C3(C4CC(=O)NN4)C=CC(c4ccccc4)=CC3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1
• InChI: InChI=1S/C34H36N8O4/c1-23-7-6-16-35-26(23)21-40-17-14-34(15-18-40)31(44)42(32(45)41(34)28-20-30(46-2)37-22-36-28)33(27-19-29(43)39-38-27)12-10-25(11-13-33)24-8-4-3-5-9-24/h3-12,16,20,22,27,38H,13-15,17-19,21H2,1-2H3,(H,39,43)
• InChIKey: JZBVERNZKCDRDV-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 132.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.71
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 154182009) is 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cc(N2C(=O)N(C3(C4CC(=O)NN4)C=CC(c4ccccc4)=CC3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1.

What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is JZBVERNZKCDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N8O4/c1-23-7-6-16-35-26(23)21-40-17-14-34(15-18-40)31(44)42(32(45)41(34)28-20-30(46-2)37-22-36-28)33(27-19-29(43)39-38-27)12-10-25(11-13-33)24-8-4-3-5-9-24/h3-12,16,20,22,27,38H,13-15,17-19,21H2,1-2H3,(H,39,43).

What are the key properties of 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 620.71 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methoxypyrimidin-4-yl)-8-[(3-methyl-2-pyridinyl)methyl]-3-[1-(5-oxopyrazolidin-3-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154182009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).