(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate

C16H19N3O2 — CID 19770958

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1cnn3ccccc13)C2
InChIInChI=1S/C16H19N3O2/c1-18-11-5-6-12(18)9-13(8-11)21-16(20)14-10-17-19-7-3-2-4-15(14)19/h2-4,7,10-13H,5-6,8-9H2,1H3
InChIKeyOYMSVEYECKLFKC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.12
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 19770958) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID19770958
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1cnn3ccccc13)C2
InChIInChI=1S/C16H19N3O2/c1-18-11-5-6-12(18)9-13(8-11)21-16(20)14-10-17-19-7-3-2-4-15(14)19/h2-4,7,10-13H,5-6,8-9H2,1H3
InChIKeyOYMSVEYECKLFKC-UHFFFAOYSA-N
XLogP2.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate (CID 19770958) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate is CN1C2CCC1CC(OC(=O)c1cnn3ccccc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is OYMSVEYECKLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-11-5-6-12(18)9-13(8-11)21-16(20)14-10-17-19-7-3-2-4-15(14)19/h2-4,7,10-13H,5-6,8-9H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 19770958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).