5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

C19H20FN5O2S — CID 126842500

About 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 126842500) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 126842500
• Molecular Formula: C19H20FN5O2S
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.13
• IUPAC Name: 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CN1C2COCC1CC(NC(=O)c1cn(-c3cscn3)c3ncc(F)cc13)C2
• InChI: InChI=1S/C19H20FN5O2S/c1-24-13-3-12(4-14(24)8-27-7-13)23-19(26)16-6-25(17-9-28-10-22-17)18-15(16)2-11(20)5-21-18/h2,5-6,9-10,12-14H,3-4,7-8H2,1H3,(H,23,26)
• InChIKey: PZIDYURBAOKOOS-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 126842500) is 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is CN1C2COCC1CC(NC(=O)c1cn(-c3cscn3)c3ncc(F)cc13)C2.

What is the InChIKey of 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is PZIDYURBAOKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-24-13-3-12(4-14(24)8-27-7-13)23-19(26)16-6-25(17-9-28-10-22-17)18-15(16)2-11(20)5-21-18/h2,5-6,9-10,12-14H,3-4,7-8H2,1H3,(H,23,26).

What are the key properties of 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 126842500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).