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

C26H31FN6O2 — CID 170429394

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

(4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 170429394) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 170429394
• Molecular Formula: C26H31FN6O2
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.25
• IUPAC Name: (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CC(C)NC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OC(C)c5ccccc5F)c4)cc32)C1
• InChI: InChI=1S/C26H31FN6O2/c1-16(2)30-25(34)32-10-8-26(15-32)9-11-33-23(26)13-21(31-33)18-12-22(24(28)29-14-18)35-17(3)19-6-4-5-7-20(19)27/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,28,29)(H,30,34)/t17?,26-/m1/s1
• InChIKey: KKCLLTBYMONPSG-XJCVEMOTSA-N
• XLogP: 4.27
• 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	478.57
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 170429394) is (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

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

The canonical SMILES for (4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CC(C)NC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OC(C)c5ccccc5F)c4)cc32)C1.

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

The InChIKey is KKCLLTBYMONPSG-XJCVEMOTSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-16(2)30-25(34)32-10-8-26(15-32)9-11-33-23(26)13-21(31-33)18-12-22(24(28)29-14-18)35-17(3)19-6-4-5-7-20(19)27/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,28,29)(H,30,34)/t17?,26-/m1/s1.

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

(4R)-2-[6-amino-5-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.27, 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-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]-N-propan-2-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 170429394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).