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

C24H27FN6O2 — CID 175779893

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

(4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 175779893) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 175779893
• Molecular Formula: C24H27FN6O2
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.22
• IUPAC Name: (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CCNC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OCc5cccc(F)c5)c4)cc32)C1
• InChI: InChI=1S/C24H27FN6O2/c1-2-27-23(32)30-8-6-24(15-30)7-9-31-21(24)12-19(29-31)17-11-20(22(26)28-13-17)33-14-16-4-3-5-18(25)10-16/h3-5,10-13H,2,6-9,14-15H2,1H3,(H2,26,28)(H,27,32)/t24-/m1/s1
• InChIKey: SWBMELQDFZDPFI-XMMPIXPASA-N
• XLogP: 3.32
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 175779893) is (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

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

The canonical SMILES for (4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CCNC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OCc5cccc(F)c5)c4)cc32)C1.

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

The InChIKey is SWBMELQDFZDPFI-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-2-27-23(32)30-8-6-24(15-30)7-9-31-21(24)12-19(29-31)17-11-20(22(26)28-13-17)33-14-16-4-3-5-18(25)10-16/h3-5,10-13H,2,6-9,14-15H2,1H3,(H2,26,28)(H,27,32)/t24-/m1/s1.

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

(4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.32, 5 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-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 175779893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).