methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate

C34H35F3N2O5 — CID 66989695

About methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate

methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate (PubChem CID 66989695) has the molecular formula C34H35F3N2O5 and a molecular weight of 608.66 g/mol. Its IUPAC name is methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate
• PubChem CID: 66989695
• Molecular Formula: C34H35F3N2O5
• Molecular Weight: 608.66 g/mol
• Exact Mass: 608.25
• IUPAC Name: methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate
• SMILES: COC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3cccc(C)n3)ccn2c1C(=O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C34H35F3N2O5/c1-20-9-8-10-23(38-20)19-44-24-15-16-39-26(17-24)27(30(41)32(2,3)4)25(18-33(5,6)31(42)43-7)28(39)29(40)21-11-13-22(14-12-21)34(35,36)37/h8-17H,18-19H2,1-7H3
• InChIKey: VJFQUUDABQAFPY-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 86.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.66
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate?

The IUPAC name of methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate (CID 66989695) is methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate.

What is the SMILES notation for methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate?

The canonical SMILES for methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3cccc(C)n3)ccn2c1C(=O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate?

The InChIKey is VJFQUUDABQAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N2O5/c1-20-9-8-10-23(38-20)19-44-24-15-16-39-26(17-24)27(30(41)32(2,3)4)25(18-33(5,6)31(42)43-7)28(39)29(40)21-11-13-22(14-12-21)34(35,36)37/h8-17H,18-19H2,1-7H3.

What are the key properties of methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate?

methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate has a molecular weight of 608.66 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[1-(2,2-dimethylpropanoyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3-[4-(trifluoromethyl)benzoyl]indolizin-2-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 66989695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).