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

C34H35F4N7O3 — CID 178084392

IUPAC2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
SMILESCc1nc(CC(N)=O)nc(C)c1-c1cc(F)c(OCC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
InChIInChI=1S/C34H35F4N7O3/c1-17-28(18(2)41-27(40-17)15-26(39)46)21-13-23(35)30(48-16-19-3-4-19)24(14-21)45-11-9-33(10-12-45)32(47)43-31(44-33)22-7-8-25(34(36,37)38)42-29(22)20-5-6-20/h7-8,13-14,19-20H,3-6,9-12,15-16H2,1-2H3,(H2,39,46)(H,43,44,47)
InChIKeyYLJYPWUPJMYBLS-UHFFFAOYSA-N
MW665.69 g/mol
LogP4.92
Rot. Bonds9

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

2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide (PubChem CID 178084392) has the molecular formula C34H35F4N7O3 and a molecular weight of 665.69 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
PubChem CID178084392
Molecular FormulaC34H35F4N7O3
Molecular Weight665.69 g/mol
Exact Mass665.27
IUPAC Name2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
SMILESCc1nc(CC(N)=O)nc(C)c1-c1cc(F)c(OCC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
InChIInChI=1S/C34H35F4N7O3/c1-17-28(18(2)41-27(40-17)15-26(39)46)21-13-23(35)30(48-16-19-3-4-19)24(14-21)45-11-9-33(10-12-45)32(47)43-31(44-33)22-7-8-25(34(36,37)38)42-29(22)20-5-6-20/h7-8,13-14,19-20H,3-6,9-12,15-16H2,1-2H3,(H2,39,46)(H,43,44,47)
InChIKeyYLJYPWUPJMYBLS-UHFFFAOYSA-N
XLogP4.92
TPSA135.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.69
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
The IUPAC name of 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide (CID 178084392) is 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide is Cc1nc(CC(N)=O)nc(C)c1-c1cc(F)c(OCC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1.
What is the InChIKey of 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
The InChIKey is YLJYPWUPJMYBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F4N7O3/c1-17-28(18(2)41-27(40-17)15-26(39)46)21-13-23(35)30(48-16-19-3-4-19)24(14-21)45-11-9-33(10-12-45)32(47)43-31(44-33)22-7-8-25(34(36,37)38)42-29(22)20-5-6-20/h7-8,13-14,19-20H,3-6,9-12,15-16H2,1-2H3,(H2,39,46)(H,43,44,47).
What are the key properties of 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide has a molecular weight of 665.69 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropylmethoxy)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-4,6-dimethylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 178084392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).