6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide

C18H18FN5O — CID 178055599

About 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide

6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 178055599) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
• PubChem CID: 178055599
• Molecular Formula: C18H18FN5O
• Molecular Weight: 339.37 g/mol
• Exact Mass: 339.15
• IUPAC Name: 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
• SMILES: CN1CCCC1c1cc2cnc(NC(=O)c3ccc(F)nc3)cc2[nH]1
• InChI: InChI=1S/C18H18FN5O/c1-24-6-2-3-15(24)14-7-12-10-21-17(8-13(12)22-14)23-18(25)11-4-5-16(19)20-9-11/h4-5,7-10,15,22H,2-3,6H2,1H3,(H,21,23,25)
• InChIKey: DHXFOHOASKWCJW-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.37
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide (CID 178055599) is 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide is CN1CCCC1c1cc2cnc(NC(=O)c3ccc(F)nc3)cc2[nH]1.

What is the InChIKey of 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

The InChIKey is DHXFOHOASKWCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-24-6-2-3-15(24)14-7-12-10-21-17(8-13(12)22-14)23-18(25)11-4-5-16(19)20-9-11/h4-5,7-10,15,22H,2-3,6H2,1H3,(H,21,23,25).

What are the key properties of 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 178055599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).