5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate

C71H69F15N10O9 — CID 158591583

About 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate

5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate (PubChem CID 158591583) has the molecular formula C71H69F15N10O9 and a molecular weight of 1491.36 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate
• PubChem CID: 158591583
• Molecular Formula: C71H69F15N10O9
• Molecular Weight: 1491.36 g/mol
• Exact Mass: 1490.50
• IUPAC Name: 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate
• SMILES: CCOC(=O)Cn1nc(C(F)F)c2c1C1CC1CC2.CCOC(=O)Cn1nc(C(F)F)c2c1C1CC1CC2(F)F.CCOC(=O)Cn1nc(C(F)F)c2c1C1CC1CC2=O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C2CC2CC3(F)F)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C32H25F7N4O2.C13H14F4N2O2.C13H14F2N2O3.C13H16F2N2O2/c33-19-7-15(8-20(34)12-19)6-17(27-22(2-1-5-41-27)16-3-4-25(35)24(10-16)31(40)45)9-21(44)14-43-29-23-11-18(23)13-32(38,39)26(29)28(42-43)30(36)37;1-2-21-8(20)5-19-11-7-3-6(7)4-13(16,17)9(11)10(18-19)12(14)15;1-2-20-9(19)5-17-12-7-3-6(7)4-8(18)10(12)11(16-17)13(14)15;1-2-19-10(18)6-17-12-8(11(16-17)13(14)15)4-3-7-5-9(7)12/h1-5,7-8,10,12,17-18,23,30H,6,9,11,13-14H2,(H2,40,45);6-7,12H,2-5H2,1H3;6-7,13H,2-5H2,1H3;7,9,13H,2-6H2,1H3/t17-,18?,23?;;;/m1.../s1
• InChIKey: HUMVVXBWYDVXDU-BCXWNRPJSA-N
• XLogP: 14.47
• TPSA: 240.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.36
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate?

The IUPAC name of 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate (CID 158591583) is 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate.

What is the SMILES notation for 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate?

The canonical SMILES for 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate is CCOC(=O)Cn1nc(C(F)F)c2c1C1CC1CC2.CCOC(=O)Cn1nc(C(F)F)c2c1C1CC1CC2(F)F.CCOC(=O)Cn1nc(C(F)F)c2c1C1CC1CC2=O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C2CC2CC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate?

The InChIKey is HUMVVXBWYDVXDU-BCXWNRPJSA-N. The full InChI is InChI=1S/C32H25F7N4O2.C13H14F4N2O2.C13H14F2N2O3.C13H16F2N2O2/c33-19-7-15(8-20(34)12-19)6-17(27-22(2-1-5-41-27)16-3-4-25(35)24(10-16)31(40)45)9-21(44)14-43-29-23-11-18(23)13-32(38,39)26(29)28(42-43)30(36)37;1-2-21-8(20)5-19-11-7-3-6(7)4-13(16,17)9(11)10(18-19)12(14)15;1-2-20-9(19)5-17-12-7-3-6(7)4-8(18)10(12)11(16-17)13(14)15;1-2-19-10(18)6-17-12-8(11(16-17)13(14)15)4-3-7-5-9(7)12/h1-5,7-8,10,12,17-18,23,30H,6,9,11,13-14H2,(H2,40,45);6-7,12H,2-5H2,1H3;6-7,13H,2-5H2,1H3;7,9,13H,2-6H2,1H3/t17-,18?,23?;;;/m1.../s1.

What are the key properties of 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate?

5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate has a molecular weight of 1491.36 g/mol, XLogP of 14.47, 22 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-4-oxo-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]acetate is sourced from PubChem (CID 158591583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).