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

C26H29FN6O2 — CID 175780071

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

(4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 175780071) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is (4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 175780071
• Molecular Formula: C26H29FN6O2
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.23
• IUPAC Name: (4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: Nc1ncc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)NC3CCC3)C2)cc1OCc1ccccc1F
• InChI: InChI=1S/C26H29FN6O2/c27-20-7-2-1-4-17(20)15-35-22-12-18(14-29-24(22)28)21-13-23-26(9-11-33(23)31-21)8-10-32(16-26)25(34)30-19-5-3-6-19/h1-2,4,7,12-14,19H,3,5-6,8-11,15-16H2,(H2,28,29)(H,30,34)/t26-/m1/s1
• InChIKey: NKIPPKSCOYGJCB-AREMUKBSSA-N
• XLogP: 3.85
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	3.85
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-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of (4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 175780071) is (4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

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

The canonical SMILES for (4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is Nc1ncc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)NC3CCC3)C2)cc1OCc1ccccc1F.

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

The InChIKey is NKIPPKSCOYGJCB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29FN6O2/c27-20-7-2-1-4-17(20)15-35-22-12-18(14-29-24(22)28)21-13-23-26(9-11-33(23)31-21)8-10-32(16-26)25(34)30-19-5-3-6-19/h1-2,4,7,12-14,19H,3,5-6,8-11,15-16H2,(H2,28,29)(H,30,34)/t26-/m1/s1.

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

(4R)-2-[6-amino-5-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.85, 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-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 175780071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).