5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide

C24H22FN5O2 — CID 66907823

About 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide

5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66907823) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 66907823
• Molecular Formula: C24H22FN5O2
• Molecular Weight: 431.47 g/mol
• Exact Mass: 431.18
• IUPAC Name: 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cc(F)cnc32)c1
• InChI: InChI=1S/C24H22FN5O2/c1-15-3-2-4-16(7-15)12-30-21(9-17-8-18(25)10-27-23(17)30)24(32)28-19-5-6-22(26-11-19)29-13-20(31)14-29/h2-11,20,31H,12-14H2,1H3,(H,28,32)
• InChIKey: XZGZTDRKTPBWOV-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.47
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66907823) is 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cc(F)cnc32)c1.

What is the InChIKey of 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is XZGZTDRKTPBWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-3-2-4-16(7-15)12-30-21(9-17-8-18(25)10-27-23(17)30)24(32)28-19-5-6-22(26-11-19)29-13-20(31)14-29/h2-11,20,31H,12-14H2,1H3,(H,28,32).

What are the key properties of 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66907823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).