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

C27H29ClFN7O4 — CID 164920913

About tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]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-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 164920913) has the molecular formula C27H29ClFN7O4 and a molecular weight of 570.03 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-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-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 164920913
• Molecular Formula: C27H29ClFN7O4
• Molecular Weight: 570.03 g/mol
• Exact Mass: 569.20
• IUPAC Name: tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• SMILES: Cc1c(-c2cc(OCC(=O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C27H29ClFN7O4/c1-16-24(32-33-36(16)19-7-9-34(10-8-19)26(38)40-27(2,3)4)17-11-23(25-20(28)13-31-35(25)14-17)39-15-22(37)21-6-5-18(29)12-30-21/h5-6,11-14,19H,7-10,15H2,1-4H3
• InChIKey: AOPKIWAFMHVXCP-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 116.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.03
LogP ≤ 5	4.92
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-oxoethoxy]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-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 164920913) is tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-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-chloro-4-[2-(5-fluoro-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-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is Cc1c(-c2cc(OCC(=O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1.

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

The InChIKey is AOPKIWAFMHVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN7O4/c1-16-24(32-33-36(16)19-7-9-34(10-8-19)26(38)40-27(2,3)4)17-11-23(25-20(28)13-31-35(25)14-17)39-15-22(37)21-6-5-18(29)12-30-21/h5-6,11-14,19H,7-10,15H2,1-4H3.

What are the key properties of tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]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-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 570.03 g/mol, XLogP of 4.92, 6 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-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164920913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).