[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone

C19H18F3N7O — CID 164859950

About [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone

[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 164859950) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

• Compound Name: [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone
• PubChem CID: 164859950
• Molecular Formula: C19H18F3N7O
• Molecular Weight: 417.40 g/mol
• Exact Mass: 417.15
• IUPAC Name: [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone
• SMILES: Nc1ncc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)c3ncc[nH]3)C2)cc1C(F)(F)F
• InChI: InChI=1S/C19H18F3N7O/c20-19(21,22)12-7-11(9-26-15(12)23)13-8-14-18(2-6-29(14)27-13)1-5-28(10-18)17(30)16-24-3-4-25-16/h3-4,7-9H,1-2,5-6,10H2,(H2,23,26)(H,24,25)/t18-/m1/s1
• InChIKey: CRODLLYJWSVTJE-GOSISDBHSA-N
• XLogP: 2.46
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.40
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone?

The IUPAC name of [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone (CID 164859950) is [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone.

What is the SMILES notation for [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone?

The canonical SMILES for [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone is Nc1ncc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)c3ncc[nH]3)C2)cc1C(F)(F)F.

What is the InChIKey of [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone?

The InChIKey is CRODLLYJWSVTJE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18F3N7O/c20-19(21,22)12-7-11(9-26-15(12)23)13-8-14-18(2-6-29(14)27-13)1-5-28(10-18)17(30)16-24-3-4-25-16/h3-4,7-9H,1-2,5-6,10H2,(H2,23,26)(H,24,25)/t18-/m1/s1.

What are the key properties of [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone?

[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 417.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 164859950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).