1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

C23H24F4IN5O2 — CID 70793543

About 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 70793543) has the molecular formula C23H24F4IN5O2 and a molecular weight of 605.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
• PubChem CID: 70793543
• Molecular Formula: C23H24F4IN5O2
• Molecular Weight: 605.37 g/mol
• Exact Mass: 605.09
• IUPAC Name: 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
• SMILES: Cc1nc(C[C@@](NC(=O)NC2CCCC2)(C2=CC(C(F)(F)F)=CC(F)C2)c2ccc(I)cn2)no1
• InChI: InChI=1S/C23H24F4IN5O2/c1-13-30-20(33-35-13)11-22(19-7-6-17(28)12-29-19,32-21(34)31-18-4-2-3-5-18)14-8-15(23(25,26)27)10-16(24)9-14/h6-8,10,12,16,18H,2-5,9,11H2,1H3,(H2,31,32,34)/t16?,22-/m1/s1
• InChIKey: KKHBPOBUPZWUJS-VXNXSFHZSA-N
• XLogP: 5.21
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.37
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?

The IUPAC name of 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 70793543) is 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

What is the SMILES notation for 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?

The canonical SMILES for 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is Cc1nc(C[C@@](NC(=O)NC2CCCC2)(C2=CC(C(F)(F)F)=CC(F)C2)c2ccc(I)cn2)no1.

What is the InChIKey of 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?

The InChIKey is KKHBPOBUPZWUJS-VXNXSFHZSA-N. The full InChI is InChI=1S/C23H24F4IN5O2/c1-13-30-20(33-35-13)11-22(19-7-6-17(28)12-29-19,32-21(34)31-18-4-2-3-5-18)14-8-15(23(25,26)27)10-16(24)9-14/h6-8,10,12,16,18H,2-5,9,11H2,1H3,(H2,31,32,34)/t16?,22-/m1/s1.

What are the key properties of 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?

1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 605.37 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[(1R)-1-[5-fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-(5-iodo-2-pyridinyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 70793543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).