tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine

C33H46N6O2 — CID 157399695

About tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine

tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine (PubChem CID 157399695) has the molecular formula C33H46N6O2 and a molecular weight of 558.77 g/mol. Its IUPAC name is tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine
• PubChem CID: 157399695
• Molecular Formula: C33H46N6O2
• Molecular Weight: 558.77 g/mol
• Exact Mass: 558.37
• IUPAC Name: tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine
• SMILES: Cc1cc(C)n2nc([C@@H]3CCCCN3)cc2c1.Cc1cc(C)n2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2c1
• InChI: InChI=1S/C19H27N3O2.C14H19N3/c1-13-10-14(2)22-15(11-13)12-16(20-22)17-8-6-7-9-21(17)18(23)24-19(3,4)5;1-10-7-11(2)17-12(8-10)9-14(16-17)13-5-3-4-6-15-13/h10-12,17H,6-9H2,1-5H3;7-9,13,15H,3-6H2,1-2H3/t17-;13-/m00/s1
• InChIKey: BMZRAJMUHTXLOM-MDXUFSKKSA-N
• XLogP: 7.18
• TPSA: 76.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.77
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine?

The IUPAC name of tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine (CID 157399695) is tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine.

What is the SMILES notation for tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine?

The canonical SMILES for tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine is Cc1cc(C)n2nc([C@@H]3CCCCN3)cc2c1.Cc1cc(C)n2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2c1.

What is the InChIKey of tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine?

The InChIKey is BMZRAJMUHTXLOM-MDXUFSKKSA-N. The full InChI is InChI=1S/C19H27N3O2.C14H19N3/c1-13-10-14(2)22-15(11-13)12-16(20-22)17-8-6-7-9-21(17)18(23)24-19(3,4)5;1-10-7-11(2)17-12(8-10)9-14(16-17)13-5-3-4-6-15-13/h10-12,17H,6-9H2,1-5H3;7-9,13,15H,3-6H2,1-2H3/t17-;13-/m00/s1.

What are the key properties of tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine?

tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 558.77 g/mol, XLogP of 7.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).