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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-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
SMILESCc1cc(C)n2nc([C@@H]3CCCCN3)cc2c1.Cc1cc(C)n2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2c1
InChIInChI=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
InChIKeyBMZRAJMUHTXLOM-MDXUFSKKSA-N
MW558.77 g/mol
LogP7.18
Rot. Bonds2

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 NameTert-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 CID157399695
Molecular FormulaC33H46N6O2
Molecular Weight558.77 g/mol
Exact Mass558.37
IUPAC Nametert-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
SMILESCc1cc(C)n2nc([C@@H]3CCCCN3)cc2c1.Cc1cc(C)n2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2c1
InChIInChI=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
InChIKeyBMZRAJMUHTXLOM-MDXUFSKKSA-N
XLogP7.18
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).

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