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

C21H22FN5O2 — CID 134814156

IUPAC5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3ccccn3)c3ncc(F)cc13)C2
InChIInChI=1S/C21H22FN5O2/c1-26-15-7-14(8-16(26)12-29-11-15)25-21(28)18-10-27(19-4-2-3-5-23-19)20-17(18)6-13(22)9-24-20/h2-6,9-10,14-16H,7-8,11-12H2,1H3,(H,25,28)
InChIKeySCBSJBTUKGFUSO-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.15
Rot. Bonds3

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

5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 134814156) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID134814156
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3ccccn3)c3ncc(F)cc13)C2
InChIInChI=1S/C21H22FN5O2/c1-26-15-7-14(8-16(26)12-29-11-15)25-21(28)18-10-27(19-4-2-3-5-23-19)20-17(18)6-13(22)9-24-20/h2-6,9-10,14-16H,7-8,11-12H2,1H3,(H,25,28)
InChIKeySCBSJBTUKGFUSO-UHFFFAOYSA-N
XLogP2.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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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-pyridin-2-ylpyrrolo[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-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 134814156) is 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[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-pyridin-2-ylpyrrolo[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-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is CN1C2COCC1CC(NC(=O)c1cn(-c3ccccn3)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-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is SCBSJBTUKGFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-26-15-7-14(8-16(26)12-29-11-15)25-21(28)18-10-27(19-4-2-3-5-23-19)20-17(18)6-13(22)9-24-20/h2-6,9-10,14-16H,7-8,11-12H2,1H3,(H,25,28).
What are the key properties of 5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 134814156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).