2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide

C32H30F4N8O3 — CID 178084504

About 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide

2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide (PubChem CID 178084504) has the molecular formula C32H30F4N8O3 and a molecular weight of 650.64 g/mol. Its IUPAC name is 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide
• PubChem CID: 178084504
• Molecular Formula: C32H30F4N8O3
• Molecular Weight: 650.64 g/mol
• Exact Mass: 650.24
• IUPAC Name: 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide
• SMILES: COc1nc(CC(N)=O)nc(C)c1-c1cc(F)c(C#N)c(N2CC[C@]3(C[C@@H]2C)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
• InChI: InChI=1S/C32H30F4N8O3/c1-15-13-31(30(46)42-28(43-31)19-6-7-23(32(34,35)36)40-27(19)17-4-5-17)8-9-44(15)22-11-18(10-21(33)20(22)14-37)26-16(2)39-25(12-24(38)45)41-29(26)47-3/h6-7,10-11,15,17H,4-5,8-9,12-13H2,1-3H3,(H2,38,45)(H,42,43,46)/t15-,31+/m0/s1
• InChIKey: FVTGTRYVJBTCJR-PBNKOMEISA-N
• XLogP: 4.09
• TPSA: 159.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.64
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide?

The IUPAC name of 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide (CID 178084504) is 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide.

What is the SMILES notation for 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide?

The canonical SMILES for 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide is COc1nc(CC(N)=O)nc(C)c1-c1cc(F)c(C#N)c(N2CC[C@]3(C[C@@H]2C)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1.

What is the InChIKey of 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide?

The InChIKey is FVTGTRYVJBTCJR-PBNKOMEISA-N. The full InChI is InChI=1S/C32H30F4N8O3/c1-15-13-31(30(46)42-28(43-31)19-6-7-23(32(34,35)36)40-27(19)17-4-5-17)8-9-44(15)22-11-18(10-21(33)20(22)14-37)26-16(2)39-25(12-24(38)45)41-29(26)47-3/h6-7,10-11,15,17H,4-5,8-9,12-13H2,1-3H3,(H2,38,45)(H,42,43,46)/t15-,31+/m0/s1.

What are the key properties of 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide?

2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide has a molecular weight of 650.64 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-cyano-3-[(5R,7S)-2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4-methoxy-6-methylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 178084504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).