2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

C22H25N7O2 — CID 164859354

About 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (PubChem CID 164859354) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
• PubChem CID: 164859354
• Molecular Formula: C22H25N7O2
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.21
• IUPAC Name: 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
• SMILES: CC12CC(CNC(=O)N3CC4(CCn5nc(-c6cnc(N)c(C#N)c6)cc54)C3)(CO1)C2
• InChI: InChI=1S/C22H25N7O2/c1-20-8-21(9-20,13-31-20)10-26-19(30)28-11-22(12-28)2-3-29-17(22)5-16(27-29)15-4-14(6-23)18(24)25-7-15/h4-5,7H,2-3,8-13H2,1H3,(H2,24,25)(H,26,30)
• InChIKey: GFCWGQRSUOMHRG-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 122.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

The IUPAC name of 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (CID 164859354) is 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

What is the SMILES notation for 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

The canonical SMILES for 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is CC12CC(CNC(=O)N3CC4(CCn5nc(-c6cnc(N)c(C#N)c6)cc54)C3)(CO1)C2.

What is the InChIKey of 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

The InChIKey is GFCWGQRSUOMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-20-8-21(9-20,13-31-20)10-26-19(30)28-11-22(12-28)2-3-29-17(22)5-16(27-29)15-4-14(6-23)18(24)25-7-15/h4-5,7H,2-3,8-13H2,1H3,(H2,24,25)(H,26,30).

What are the key properties of 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 164859354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).