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

C19H20FN5O2S — CID 140692985

IUPAC2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1c(F)n(-c3cncs3)c3ncccc13)C2
InChIInChI=1S/C19H20FN5O2S/c1-24-12-5-11(6-13(24)9-27-8-12)23-19(26)16-14-3-2-4-22-18(14)25(17(16)20)15-7-21-10-28-15/h2-4,7,10-13H,5-6,8-9H2,1H3,(H,23,26)
InChIKeyVCQCIUUSRMINCF-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.21
Rot. Bonds3

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

2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 140692985) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID140692985
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1c(F)n(-c3cncs3)c3ncccc13)C2
InChIInChI=1S/C19H20FN5O2S/c1-24-12-5-11(6-13(24)9-27-8-12)23-19(26)16-14-3-2-4-22-18(14)25(17(16)20)15-7-21-10-28-15/h2-4,7,10-13H,5-6,8-9H2,1H3,(H,23,26)
InChIKeyVCQCIUUSRMINCF-UHFFFAOYSA-N
XLogP2.21
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 140692985) is 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is CN1C2COCC1CC(NC(=O)c1c(F)n(-c3cncs3)c3ncccc13)C2.
What is the InChIKey of 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VCQCIUUSRMINCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-24-12-5-11(6-13(24)9-27-8-12)23-19(26)16-14-3-2-4-22-18(14)25(17(16)20)15-7-21-10-28-15/h2-4,7,10-13H,5-6,8-9H2,1H3,(H,23,26).
What are the key properties of 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-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 2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 140692985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).