2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C25H31N7O3S — CID 164858958

About 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164858958) has the molecular formula C25H31N7O3S and a molecular weight of 509.64 g/mol. Its IUPAC name is 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 164858958
• Molecular Formula: C25H31N7O3S
• Molecular Weight: 509.64 g/mol
• Exact Mass: 509.22
• IUPAC Name: 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(-c5ccc(S(=O)(=O)N(C)C)cc5)c4)cc32)C1
• InChI: InChI=1S/C25H31N7O3S/c1-4-27-24(33)31-11-9-25(16-31)10-12-32-22(25)14-21(29-32)18-13-20(23(26)28-15-18)17-5-7-19(8-6-17)36(34,35)30(2)3/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28)(H,27,33)
• InChIKey: CALGMGBDCCDMQH-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 126.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.64
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 164858958) is 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

What is the SMILES notation for 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The canonical SMILES for 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(-c5ccc(S(=O)(=O)N(C)C)cc5)c4)cc32)C1.

What is the InChIKey of 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The InChIKey is CALGMGBDCCDMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3S/c1-4-27-24(33)31-11-9-25(16-31)10-12-32-22(25)14-21(29-32)18-13-20(23(26)28-15-18)17-5-7-19(8-6-17)36(34,35)30(2)3/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28)(H,27,33).

What are the key properties of 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 509.64 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164858958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).