3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea

C24H22F2N4O — CID 42701192

About 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea

3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 42701192) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

• Compound Name: 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
• PubChem CID: 42701192
• Molecular Formula: C24H22F2N4O
• Molecular Weight: 420.46 g/mol
• Exact Mass: 420.18
• IUPAC Name: 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
• SMILES: Cc1cccc(CN(CCc2c[nH]c3ccccc23)C(=O)Nc2ccc(F)cc2F)n1
• InChI: InChI=1S/C24H22F2N4O/c1-16-5-4-6-19(28-16)15-30(24(31)29-23-10-9-18(25)13-21(23)26)12-11-17-14-27-22-8-3-2-7-20(17)22/h2-10,13-14,27H,11-12,15H2,1H3,(H,29,31)
• InChIKey: UTQCQYHFKDJTHY-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.46
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?

The IUPAC name of 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea (CID 42701192) is 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea.

What is the SMILES notation for 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?

The canonical SMILES for 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CN(CCc2c[nH]c3ccccc23)C(=O)Nc2ccc(F)cc2F)n1.

What is the InChIKey of 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?

The InChIKey is UTQCQYHFKDJTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-16-5-4-6-19(28-16)15-30(24(31)29-23-10-9-18(25)13-21(23)26)12-11-17-14-27-22-8-3-2-7-20(17)22/h2-10,13-14,27H,11-12,15H2,1H3,(H,29,31).

What are the key properties of 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?

3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 420.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-difluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]-1-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 42701192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).