5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one

C69H77F12N11O15 — CID 157233633

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one (PubChem CID 157233633) has the molecular formula C69H77F12N11O15 and a molecular weight of 1528.41 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one.

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one
• PubChem CID: 157233633
• Molecular Formula: C69H77F12N11O15
• Molecular Weight: 1528.41 g/mol
• Exact Mass: 1527.54
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one
• SMILES: CC(=O)Cn1nc(C(F)(F)F)c2c1COC2.CC(=O)Cn1nc2c(c1C(F)(F)F)COC2.CC(=O)Cn1nc2c(c1C(F)(F)F)COC2.CCOC(=O)CCN.CCOC(C)=O.Cc1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2.O=C1CCOC1
• InChI: InChI=1S/C29H25F3N4O3.3C9H9F3N2O2.C5H11NO2.C4H6O2.C4H8O2/c1-16-25-14-39-15-27(25)35-36(16)13-22(37)10-19(7-17-8-20(30)12-21(31)9-17)28-23(3-2-6-34-28)18-4-5-26(32)24(11-18)29(33)38;1-5(15)2-14-7-4-16-3-6(7)8(13-14)9(10,11)12;2*1-5(15)2-14-8(9(10,11)12)6-3-16-4-7(6)13-14;1-2-8-5(7)3-4-6;5-4-1-2-6-3-4;1-3-6-4(2)5/h2-6,8-9,11-12,19H,7,10,13-15H2,1H3,(H2,33,38);3*2-4H2,1H3;2-4,6H2,1H3;1-3H2;3H2,1-2H3/t19-;;;;;;/m1....../s1
• InChIKey: AUJQLEYADIYXOJ-JHBGECILSA-N
• XLogP: 9.79
• TPSA: 337.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1528.41
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one (CID 157233633) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one.

What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one?

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one is CC(=O)Cn1nc(C(F)(F)F)c2c1COC2.CC(=O)Cn1nc2c(c1C(F)(F)F)COC2.CC(=O)Cn1nc2c(c1C(F)(F)F)COC2.CCOC(=O)CCN.CCOC(C)=O.Cc1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2.O=C1CCOC1.

What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one?

The InChIKey is AUJQLEYADIYXOJ-JHBGECILSA-N. The full InChI is InChI=1S/C29H25F3N4O3.3C9H9F3N2O2.C5H11NO2.C4H6O2.C4H8O2/c1-16-25-14-39-15-27(25)35-36(16)13-22(37)10-19(7-17-8-20(30)12-21(31)9-17)28-23(3-2-6-34-28)18-4-5-26(32)24(11-18)29(33)38;1-5(15)2-14-7-4-16-3-6(7)8(13-14)9(10,11)12;2*1-5(15)2-14-8(9(10,11)12)6-3-16-4-7(6)13-14;1-2-8-5(7)3-4-6;5-4-1-2-6-3-4;1-3-6-4(2)5/h2-6,8-9,11-12,19H,7,10,13-15H2,1H3,(H2,33,38);3*2-4H2,1H3;2-4,6H2,1H3;1-3H2;3H2,1-2H3/t19-;;;;;;/m1....../s1.

What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one?

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one has a molecular weight of 1528.41 g/mol, XLogP of 9.79, 19 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;oxolan-3-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]propan-2-one);1-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-d]pyrazol-1-yl]propan-2-one is sourced from PubChem (CID 157233633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).