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

C35H36F4N6O4 — CID 178084500

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

2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide (PubChem CID 178084500) has the molecular formula C35H36F4N6O4 and a molecular weight of 680.70 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide
• PubChem CID: 178084500
• Molecular Formula: C35H36F4N6O4
• Molecular Weight: 680.70 g/mol
• Exact Mass: 680.27
• IUPAC Name: 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide
• SMILES: COc1nc(CC(N)=O)cc(C)c1-c1cc(F)c(COC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
• InChI: InChI=1S/C35H36F4N6O4/c1-18-13-21(16-28(40)46)41-32(48-2)29(18)20-14-25(36)24(17-49-22-5-6-22)26(15-20)45-11-9-34(10-12-45)33(47)43-31(44-34)23-7-8-27(35(37,38)39)42-30(23)19-3-4-19/h7-8,13-15,19,22H,3-6,9-12,16-17H2,1-2H3,(H2,40,46)(H,43,44,47)
• InChIKey: FCHLWBKTXMOUMF-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 132.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.70
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide (CID 178084500) is 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide.

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

The canonical SMILES for 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide is COc1nc(CC(N)=O)cc(C)c1-c1cc(F)c(COC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1.

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

The InChIKey is FCHLWBKTXMOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F4N6O4/c1-18-13-21(16-28(40)46)41-32(48-2)29(18)20-14-25(36)24(17-49-22-5-6-22)26(15-20)45-11-9-34(10-12-45)33(47)43-31(44-34)23-7-8-27(35(37,38)39)42-30(23)19-3-4-19/h7-8,13-15,19,22H,3-6,9-12,16-17H2,1-2H3,(H2,40,46)(H,43,44,47).

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

2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide has a molecular weight of 680.70 g/mol, XLogP of 5.12, 10 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-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-4-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 178084500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).