tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

C28H33ClFN7O4 — CID 169267699

About tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 169267699) has the molecular formula C28H33ClFN7O4 and a molecular weight of 586.07 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 169267699
• Molecular Formula: C28H33ClFN7O4
• Molecular Weight: 586.07 g/mol
• Exact Mass: 585.23
• IUPAC Name: tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• SMILES: COC(COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(Cl)c12)c1ccc(F)cn1
• InChI: InChI=1S/C28H33ClFN7O4/c1-17-25(33-34-37(17)20-8-10-35(11-9-20)27(38)41-28(2,3)4)18-12-23(26-21(29)14-32-36(26)15-18)40-16-24(39-5)22-7-6-19(30)13-31-22/h6-7,12-15,20,24H,8-11,16H2,1-5H3
• InChIKey: CAZNAMPKXHAQNY-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 108.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.07
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 169267699) is tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]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-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is COC(COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(Cl)c12)c1ccc(F)cn1.

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

The InChIKey is CAZNAMPKXHAQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClFN7O4/c1-17-25(33-34-37(17)20-8-10-35(11-9-20)27(38)41-28(2,3)4)18-12-23(26-21(29)14-32-36(26)15-18)40-16-24(39-5)22-7-6-19(30)13-31-22/h6-7,12-15,20,24H,8-11,16H2,1-5H3.

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

tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 586.07 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169267699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).