1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride

C23H19ClFN5O — CID 68755340

About 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride

1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride (PubChem CID 68755340) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride
• PubChem CID: 68755340
• Molecular Formula: C23H19ClFN5O
• Molecular Weight: 435.89 g/mol
• Exact Mass: 435.13
• IUPAC Name: 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride
• SMILES: Cl.O=C(Nc1ccccc1F)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12
• InChI: InChI=1S/C23H18FN5O.ClH/c24-18-6-1-2-7-20(18)28-23(30)27-19-8-3-9-21-17(19)10-12-29(21)14-15-13-26-22-16(15)5-4-11-25-22;/h1-13H,14H2,(H,25,26)(H2,27,28,30);1H
• InChIKey: NOVSFOARJODNDX-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 74.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.89
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride?

The IUPAC name of 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride (CID 68755340) is 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride.

What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride?

The canonical SMILES for 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride is Cl.O=C(Nc1ccccc1F)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12.

What is the InChIKey of 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride?

The InChIKey is NOVSFOARJODNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O.ClH/c24-18-6-1-2-7-20(18)28-23(30)27-19-8-3-9-21-17(19)10-12-29(21)14-15-13-26-22-16(15)5-4-11-25-22;/h1-13H,14H2,(H,25,26)(H2,27,28,30);1H.

What are the key properties of 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride?

1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride has a molecular weight of 435.89 g/mol, XLogP of 5.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride is sourced from PubChem (CID 68755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).