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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C34H32Cl2FN7O5 — CID 167338011

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-chloro-4-fluorophenyl]-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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 167338011) has the molecular formula C34H32Cl2FN7O5 and a molecular weight of 708.58 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-chloro-4-fluorophenyl]-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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• PubChem CID: 167338011
• Molecular Formula: C34H32Cl2FN7O5
• Molecular Weight: 708.58 g/mol
• Exact Mass: 707.18
• 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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• SMILES: COc1nc(-c2cccc(-c3c(F)ccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC3(CN(C(C)=O)C3)C1)CC2
• InChI: InChI=1S/C34H32Cl2FN7O5/c1-17(45)43-13-34(14-43)15-44(16-34)24-11-8-18-12-23(39-31(49-4)25(18)24)19-6-5-7-20(27(19)35)26-21(37)9-10-22(28(26)36)38-30(46)29-32(47)41(2)33(48)42(3)40-29/h5-7,9-10,12,24H,8,11,13-16H2,1-4H3,(H,38,46)
• InChIKey: YFXHWWWNMTYKOF-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 131.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	708.58
LogP ≤ 5	4.07
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-chloro-4-fluorophenyl]-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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 167338011) 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-chloro-4-fluorophenyl]-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-chloro-4-fluorophenyl]-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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1nc(-c2cccc(-c3c(F)ccc(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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The InChIKey is YFXHWWWNMTYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2FN7O5/c1-17(45)43-13-34(14-43)15-44(16-34)24-11-8-18-12-23(39-31(49-4)25(18)24)19-6-5-7-20(27(19)35)26-21(37)9-10-22(28(26)36)38-30(46)29-32(47)41(2)33(48)42(3)40-29/h5-7,9-10,12,24H,8,11,13-16H2,1-4H3,(H,38,46).

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-chloro-4-fluorophenyl]-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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 708.58 g/mol, XLogP of 4.07, 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-chloro-4-fluorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 167338011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).