tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

C29H32N8O4 — CID 169267558

About tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 169267558) has the molecular formula C29H32N8O4 and a molecular weight of 556.63 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 169267558
• Molecular Formula: C29H32N8O4
• Molecular Weight: 556.63 g/mol
• Exact Mass: 556.25
• IUPAC Name: tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• SMILES: Cc1cccnc1C(=O)COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(C#N)c12
• InChI: InChI=1S/C29H32N8O4/c1-18-7-6-10-31-25(18)23(38)17-40-24-13-20(16-36-27(24)21(14-30)15-32-36)26-19(2)37(34-33-26)22-8-11-35(12-9-22)28(39)41-29(3,4)5/h6-7,10,13,15-16,22H,8-9,11-12,17H2,1-5H3
• InChIKey: GBXXNPDSSJQCRL-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 140.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 169267558) is tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is Cc1cccnc1C(=O)COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(C#N)c12.

What is the InChIKey of tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The InChIKey is GBXXNPDSSJQCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O4/c1-18-7-6-10-31-25(18)23(38)17-40-24-13-20(16-36-27(24)21(14-30)15-32-36)26-19(2)37(34-33-26)22-8-11-35(12-9-22)28(39)41-29(3,4)5/h6-7,10,13,15-16,22H,8-9,11-12,17H2,1-5H3.

What are the key properties of tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 556.63 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).