(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate

C17H21N3O2 — CID 19770949

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCc1cccn2ncc(C(=O)OC3CC4CCC(C3)N4C)c12
InChIInChI=1S/C17H21N3O2/c1-11-4-3-7-20-16(11)15(10-18-20)17(21)22-14-8-12-5-6-13(9-14)19(12)2/h3-4,7,10,12-14H,5-6,8-9H2,1-2H3
InChIKeyUBWOXQNFAALKRG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 19770949) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID19770949
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCc1cccn2ncc(C(=O)OC3CC4CCC(C3)N4C)c12
InChIInChI=1S/C17H21N3O2/c1-11-4-3-7-20-16(11)15(10-18-20)17(21)22-14-8-12-5-6-13(9-14)19(12)2/h3-4,7,10,12-14H,5-6,8-9H2,1-2H3
InChIKeyUBWOXQNFAALKRG-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
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) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 19770949) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate is Cc1cccn2ncc(C(=O)OC3CC4CCC(C3)N4C)c12.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UBWOXQNFAALKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-4-3-7-20-16(11)15(10-18-20)17(21)22-14-8-12-5-6-13(9-14)19(12)2/h3-4,7,10,12-14H,5-6,8-9H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.42, 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) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 19770949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).