1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea

C26H23N5O2 — CID 157400264

About 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea

1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea (PubChem CID 157400264) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea.

Molecular Properties

• Compound Name: 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea
• PubChem CID: 157400264
• Molecular Formula: C26H23N5O2
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.19
• IUPAC Name: 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea
• SMILES: O=C(Nc1ccncc1)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1
• InChI: InChI=1S/C26H23N5O2/c32-22-8-4-7-21-24(22)20(15-17-5-2-1-3-6-17)25(30-21)18-9-14-28-23(16-18)31-26(33)29-19-10-12-27-13-11-19/h1-3,5-6,9-14,16,30H,4,7-8,15H2,(H2,27,28,29,31,33)
• InChIKey: BNBLVGWZKYHGTH-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea?

The IUPAC name of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea (CID 157400264) is 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea.

What is the SMILES notation for 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea?

The canonical SMILES for 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1.

What is the InChIKey of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea?

The InChIKey is BNBLVGWZKYHGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-22-8-4-7-21-24(22)20(15-17-5-2-1-3-6-17)25(30-21)18-9-14-28-23(16-18)31-26(33)29-19-10-12-27-13-11-19/h1-3,5-6,9-14,16,30H,4,7-8,15H2,(H2,27,28,29,31,33).

What are the key properties of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea?

1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea has a molecular weight of 437.50 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 157400264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).