tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C25H30N6O3 — CID 67123984

About tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 67123984) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
• PubChem CID: 67123984
• Molecular Formula: C25H30N6O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.24
• IUPAC Name: tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
• SMILES: CCn1c(=O)n(C2CCCN(C(=O)OC(C)(C)C)C2)c2nc(-c3cnn4ccccc34)ccc21
• InChI: InChI=1S/C25H30N6O3/c1-5-29-21-12-11-19(18-15-26-30-14-7-6-10-20(18)30)27-22(21)31(23(29)32)17-9-8-13-28(16-17)24(33)34-25(2,3)4/h6-7,10-12,14-15,17H,5,8-9,13,16H2,1-4H3
• InChIKey: YEOMNHCOBMLSOZ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 86.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 67123984) is tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is CCn1c(=O)n(C2CCCN(C(=O)OC(C)(C)C)C2)c2nc(-c3cnn4ccccc34)ccc21.

What is the InChIKey of tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?

The InChIKey is YEOMNHCOBMLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-5-29-21-12-11-19(18-15-26-30-14-7-6-10-20(18)30)27-22(21)31(23(29)32)17-9-8-13-28(16-17)24(33)34-25(2,3)4/h6-7,10-12,14-15,17H,5,8-9,13,16H2,1-4H3.

What are the key properties of tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?

tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67123984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).