1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C24H35F2N5O3 — CID 175941679

About 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 175941679) has the molecular formula C24H35F2N5O3 and a molecular weight of 479.57 g/mol. Its IUPAC name is 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
• PubChem CID: 175941679
• Molecular Formula: C24H35F2N5O3
• Molecular Weight: 479.57 g/mol
• Exact Mass: 479.27
• IUPAC Name: 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
• SMILES: CC(C)(C)[C@H](C(=O)N1CC(O)CC1C(=O)NCC1C(F)(F)C12CCCC2)n1cc(C2CC2)nn1
• InChI: InChI=1S/C24H35F2N5O3/c1-22(2,3)19(31-13-16(28-29-31)14-6-7-14)21(34)30-12-15(32)10-17(30)20(33)27-11-18-23(24(18,25)26)8-4-5-9-23/h13-15,17-19,32H,4-12H2,1-3H3,(H,27,33)/t15?,17?,18?,19-/m0/s1
• InChIKey: HQMGICNSIOJCKZ-LWRKGQLUSA-N
• XLogP: 2.65
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.57
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?

The IUPAC name of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 175941679) is 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?

The canonical SMILES for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)[C@H](C(=O)N1CC(O)CC1C(=O)NCC1C(F)(F)C12CCCC2)n1cc(C2CC2)nn1.

What is the InChIKey of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?

The InChIKey is HQMGICNSIOJCKZ-LWRKGQLUSA-N. The full InChI is InChI=1S/C24H35F2N5O3/c1-22(2,3)19(31-13-16(28-29-31)14-6-7-14)21(34)30-12-15(32)10-17(30)20(33)27-11-18-23(24(18,25)26)8-4-5-9-23/h13-15,17-19,32H,4-12H2,1-3H3,(H,27,33)/t15?,17?,18?,19-/m0/s1.

What are the key properties of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?

1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 175941679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).