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

C23H27N7O2 — CID 164859442

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

2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164859442) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 164859442
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: 2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(OCc5ccccn5)c4)cc32)C1
• InChI: InChI=1S/C23H27N7O2/c1-2-25-22(31)29-9-6-23(15-29)7-10-30-20(23)12-18(28-30)16-11-19(21(24)27-13-16)32-14-17-5-3-4-8-26-17/h3-5,8,11-13H,2,6-7,9-10,14-15H2,1H3,(H2,24,27)(H,25,31)
• InChIKey: SAYCBEOLYZRTPJ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 164859442) is 2-[6-amino-5-(pyridin-2-ylmethoxy)-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-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The canonical SMILES for 2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(OCc5ccccn5)c4)cc32)C1.

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

The InChIKey is SAYCBEOLYZRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-2-25-22(31)29-9-6-23(15-29)7-10-30-20(23)12-18(28-30)16-11-19(21(24)27-13-16)32-14-17-5-3-4-8-26-17/h3-5,8,11-13H,2,6-7,9-10,14-15H2,1H3,(H2,24,27)(H,25,31).

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

2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.58, 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-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164859442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).