2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide

C35H38F3N7O3 — CID 178084942

About 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide

2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide (PubChem CID 178084942) has the molecular formula C35H38F3N7O3 and a molecular weight of 661.73 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
• PubChem CID: 178084942
• Molecular Formula: C35H38F3N7O3
• Molecular Weight: 661.73 g/mol
• Exact Mass: 661.30
• IUPAC Name: 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
• SMILES: Cc1nc(CC(N)=O)nc(C)c1-c1ccc(COC2CC2)c(N2CC[C@]3(C[C@@H]2C)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
• InChI: InChI=1S/C35H38F3N7O3/c1-18-16-34(33(47)43-32(44-34)25-10-11-27(35(36,37)38)42-31(25)21-4-5-21)12-13-45(18)26-14-22(6-7-23(26)17-48-24-8-9-24)30-19(2)40-29(15-28(39)46)41-20(30)3/h6-7,10-11,14,18,21,24H,4-5,8-9,12-13,15-17H2,1-3H3,(H2,39,46)(H,43,44,47)/t18-,34+/m0/s1
• InChIKey: GQBCQAHNSYUXCK-USXNREEHSA-N
• XLogP: 5.06
• TPSA: 135.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.73
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?

The IUPAC name of 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide (CID 178084942) is 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide.

What is the SMILES notation for 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?

The canonical SMILES for 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide is Cc1nc(CC(N)=O)nc(C)c1-c1ccc(COC2CC2)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-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?

The InChIKey is GQBCQAHNSYUXCK-USXNREEHSA-N. The full InChI is InChI=1S/C35H38F3N7O3/c1-18-16-34(33(47)43-32(44-34)25-10-11-27(35(36,37)38)42-31(25)21-4-5-21)12-13-45(18)26-14-22(6-7-23(26)17-48-24-8-9-24)30-19(2)40-29(15-28(39)46)41-20(30)3/h6-7,10-11,14,18,21,24H,4-5,8-9,12-13,15-17H2,1-3H3,(H2,39,46)(H,43,44,47)/t18-,34+/m0/s1.

What are the key properties of 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?

2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide has a molecular weight of 661.73 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-(cyclopropyloxymethyl)-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]phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 178084942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).