N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C34H33Cl2N7O5 — CID 167338014

About N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 167338014) has the molecular formula C34H33Cl2N7O5 and a molecular weight of 690.59 g/mol. Its IUPAC name is N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• PubChem CID: 167338014
• Molecular Formula: C34H33Cl2N7O5
• Molecular Weight: 690.59 g/mol
• Exact Mass: 689.19
• IUPAC Name: N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC3(CN(C(C)=O)C3)C1)CC2
• InChI: InChI=1S/C34H33Cl2N7O5/c1-18(44)42-14-34(15-42)16-43(17-34)25-12-11-19-13-24(38-31(48-4)26(19)25)22-9-5-7-20(27(22)35)21-8-6-10-23(28(21)36)37-30(45)29-32(46)40(2)33(47)41(3)39-29/h5-10,13,25H,11-12,14-17H2,1-4H3,(H,37,45)
• InChIKey: IUOYEFZXJMMSIR-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 131.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.59
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The IUPAC name of N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 167338014) is N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The canonical SMILES for N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC3(CN(C(C)=O)C3)C1)CC2.

What is the InChIKey of N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The InChIKey is IUOYEFZXJMMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33Cl2N7O5/c1-18(44)42-14-34(15-42)16-43(17-34)25-12-11-19-13-24(38-31(48-4)26(19)25)22-9-5-7-20(27(22)35)21-8-6-10-23(28(21)36)37-30(45)29-32(46)40(2)33(47)41(3)39-29/h5-10,13,25H,11-12,14-17H2,1-4H3,(H,37,45).

What are the key properties of N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 690.59 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 167338014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).