tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate

C26H32N6O3 — CID 175780143

About tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate

tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate (PubChem CID 175780143) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate
• PubChem CID: 175780143
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate
• SMILES: C[C@@H](Oc1cc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)OC(C)(C)C)C2)cnc1N)c1ccccn1
• InChI: InChI=1S/C26H32N6O3/c1-17(19-7-5-6-10-28-19)34-21-13-18(15-29-23(21)27)20-14-22-26(9-12-32(22)30-20)8-11-31(16-26)24(33)35-25(2,3)4/h5-7,10,13-15,17H,8-9,11-12,16H2,1-4H3,(H2,27,29)/t17-,26-/m1/s1
• InChIKey: AMPOWZYHJGWZCC-WGDIFIGCSA-N
• XLogP: 4.34
• TPSA: 108.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate?

The IUPAC name of tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate (CID 175780143) is tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate.

What is the SMILES notation for tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate?

The canonical SMILES for tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate is C[C@@H](Oc1cc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)OC(C)(C)C)C2)cnc1N)c1ccccn1.

What is the InChIKey of tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate?

The InChIKey is AMPOWZYHJGWZCC-WGDIFIGCSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17(19-7-5-6-10-28-19)34-21-13-18(15-29-23(21)27)20-14-22-26(9-12-32(22)30-20)8-11-31(16-26)24(33)35-25(2,3)4/h5-7,10,13-15,17H,8-9,11-12,16H2,1-4H3,(H2,27,29)/t17-,26-/m1/s1.

What are the key properties of tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate?

tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 476.58 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R)-2-[6-amino-5-[(1R)-1-pyridin-2-ylethoxy]-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 175780143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).