1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea

C25H27N5O — CID 71839916

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea (PubChem CID 71839916) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
• PubChem CID: 71839916
• Molecular Formula: C25H27N5O
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.22
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
• SMILES: O=C(Nc1cccc(-c2nccnc2N2CCCCC2)c1)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C25H27N5O/c31-25(29-22-11-10-18-6-4-7-19(18)16-22)28-21-9-5-8-20(17-21)23-24(27-13-12-26-23)30-14-2-1-3-15-30/h5,8-13,16-17H,1-4,6-7,14-15H2,(H2,28,29,31)
• InChIKey: ZHJPGQMEXGHLOT-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea (CID 71839916) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea is O=C(Nc1cccc(-c2nccnc2N2CCCCC2)c1)Nc1ccc2c(c1)CCC2.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?

The InChIKey is ZHJPGQMEXGHLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-25(29-22-11-10-18-6-4-7-19(18)16-22)28-21-9-5-8-20(17-21)23-24(27-13-12-26-23)30-14-2-1-3-15-30/h5,8-13,16-17H,1-4,6-7,14-15H2,(H2,28,29,31).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?

1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea has a molecular weight of 413.53 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea is sourced from PubChem (CID 71839916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).