[1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol

C25H29N7O — CID 156726603

About [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol

[1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol (PubChem CID 156726603) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol.

Molecular Properties

• Compound Name: [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol
• PubChem CID: 156726603
• Molecular Formula: C25H29N7O
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.24
• IUPAC Name: [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol
• SMILES: CC(NC(O)N1CCC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1)c1nccn1C
• InChI: InChI=1S/C25H29N7O/c1-17(23-26-9-12-30(23)2)28-24(33)31-10-7-25(16-31)8-11-32-22(25)14-21(29-32)19-13-18-5-3-4-6-20(18)27-15-19/h3-6,9,12-15,17,24,28,33H,7-8,10-11,16H2,1-2H3
• InChIKey: LWVZIXLOLKCYAO-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 84.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol?

The IUPAC name of [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol (CID 156726603) is [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol.

What is the SMILES notation for [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol?

The canonical SMILES for [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol is CC(NC(O)N1CCC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1)c1nccn1C.

What is the InChIKey of [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol?

The InChIKey is LWVZIXLOLKCYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17(23-26-9-12-30(23)2)28-24(33)31-10-7-25(16-31)8-11-32-22(25)14-21(29-32)19-13-18-5-3-4-6-20(18)27-15-19/h3-6,9,12-15,17,24,28,33H,7-8,10-11,16H2,1-2H3.

What are the key properties of [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol?

[1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol has a molecular weight of 443.56 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol is sourced from PubChem (CID 156726603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).