1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea

C26H21N5O2 — CID 23646874

About 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea

1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea (PubChem CID 23646874) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea.

Molecular Properties

• Compound Name: 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea
• PubChem CID: 23646874
• Molecular Formula: C26H21N5O2
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.17
• IUPAC Name: 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea
• SMILES: O=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)Nc1cccnc1
• InChI: InChI=1S/C26H21N5O2/c32-25-21(7-2-8-22(25)24-13-19-15-28-11-9-23(19)31-24)18-5-1-4-17(12-18)14-29-26(33)30-20-6-3-10-27-16-20/h1-13,15-16,31-32H,14H2,(H2,29,30,33)
• InChIKey: ZCNYGYSCWWIJRV-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 102.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea?

The IUPAC name of 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea (CID 23646874) is 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea.

What is the SMILES notation for 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea?

The canonical SMILES for 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea is O=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)Nc1cccnc1.

What is the InChIKey of 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea?

The InChIKey is ZCNYGYSCWWIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c32-25-21(7-2-8-22(25)24-13-19-15-28-11-9-23(19)31-24)18-5-1-4-17(12-18)14-29-26(33)30-20-6-3-10-27-16-20/h1-13,15-16,31-32H,14H2,(H2,29,30,33).

What are the key properties of 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea?

1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea has a molecular weight of 435.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 23646874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).