1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide

C24H27F2N5O4 — CID 146476393

About 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 146476393) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide
• PubChem CID: 146476393
• Molecular Formula: C24H27F2N5O4
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.20
• IUPAC Name: 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide
• SMILES: Cc1noc(C2(NC(=O)C(O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3CCF)CC2)n1
• InChI: InChI=1S/C24H27F2N5O4/c1-12-11-16(5-6-17(12)26)28-21(33)18-13(2)19(31(10-9-25)14(18)3)20(32)22(34)29-24(7-8-24)23-27-15(4)30-35-23/h5-6,11,20,32H,7-10H2,1-4H3,(H,28,33)(H,29,34)
• InChIKey: YCSFKPPBTLMVAZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 122.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide?

The IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide (CID 146476393) is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide?

The canonical SMILES for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide is Cc1noc(C2(NC(=O)C(O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3CCF)CC2)n1.

What is the InChIKey of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide?

The InChIKey is YCSFKPPBTLMVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-12-11-16(5-6-17(12)26)28-21(33)18-13(2)19(31(10-9-25)14(18)3)20(32)22(34)29-24(7-8-24)23-27-15(4)30-35-23/h5-6,11,20,32H,7-10H2,1-4H3,(H,28,33)(H,29,34).

What are the key properties of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide?

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[1-hydroxy-2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoethyl]-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 146476393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).