N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H23FN8O3 — CID 170634910

About N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634910) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634910
• Molecular Formula: C23H23FN8O3
• Molecular Weight: 478.49 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cn1cc(-c2cc3cc(C(=O)Nc4cc(NC(=O)CN5CCOCC5)cnc4F)cnc3[nH]2)cn1
• InChI: InChI=1S/C23H23FN8O3/c1-31-12-16(10-27-31)18-7-14-6-15(9-26-22(14)29-18)23(34)30-19-8-17(11-25-21(19)24)28-20(33)13-32-2-4-35-5-3-32/h6-12H,2-5,13H2,1H3,(H,26,29)(H,28,33)(H,30,34)
• InChIKey: QOQXTOSYTQMULP-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 130.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.49
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634910) is N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cn1cc(-c2cc3cc(C(=O)Nc4cc(NC(=O)CN5CCOCC5)cnc4F)cnc3[nH]2)cn1.

What is the InChIKey of N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is QOQXTOSYTQMULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-31-12-16(10-27-31)18-7-14-6-15(9-26-22(14)29-18)23(34)30-19-8-17(11-25-21(19)24)28-20(33)13-32-2-4-35-5-3-32/h6-12H,2-5,13H2,1H3,(H,26,29)(H,28,33)(H,30,34).

What are the key properties of N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 478.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).