5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one)

C69H74F15N11O10S5 — CID 161190333

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one)

5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one) (PubChem CID 161190333) has the molecular formula C69H74F15N11O10S5 and a molecular weight of 1662.72 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one).

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one)
• PubChem CID: 161190333
• Molecular Formula: C69H74F15N11O10S5
• Molecular Weight: 1662.72 g/mol
• Exact Mass: 1661.40
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one)
• SMILES: CC(=O)Cn1nc(C(F)(F)F)c2c1CSC2.CC(=O)Cn1nc(C(F)(F)F)c2c1CSC2.CC(=O)Cn1nc2c(c1C(F)(F)F)CSC2.CCOC(=O)CCN.CCOC(C)=O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CSC3)Cc2cc(F)cc(F)c2)ccc1F.O=C1CCSC1
• InChI: InChI=1S/C29H22F6N4O2S.3C9H9F3N2OS.C5H11NO2.C4H8O2.C4H6OS/c30-18-7-15(8-19(31)11-18)6-17(9-20(40)12-39-25-14-42-13-23(25)27(38-39)29(33,34)35)26-21(2-1-5-37-26)16-3-4-24(32)22(10-16)28(36)41;2*1-5(15)2-14-7-4-16-3-6(7)8(13-14)9(10,11)12;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;1-3-6-4(2)5;5-4-1-2-6-3-4/h1-5,7-8,10-11,17H,6,9,12-14H2,(H2,36,41);3*2-4H2,1H3;2-4,6H2,1H3;3H2,1-2H3;1-3H2/t17-;;;;;;/m1....../s1
• InChIKey: UTQBWXQCZNFWNA-MFGRGHSBSA-N
• XLogP: 14.09
• TPSA: 291.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.72
LogP ≤ 5	14.09
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)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one)?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one) (CID 161190333) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one).

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

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one) is CC(=O)Cn1nc(C(F)(F)F)c2c1CSC2.CC(=O)Cn1nc(C(F)(F)F)c2c1CSC2.CC(=O)Cn1nc2c(c1C(F)(F)F)CSC2.CCOC(=O)CCN.CCOC(C)=O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CSC3)Cc2cc(F)cc(F)c2)ccc1F.O=C1CCSC1.

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

The InChIKey is UTQBWXQCZNFWNA-MFGRGHSBSA-N. The full InChI is InChI=1S/C29H22F6N4O2S.3C9H9F3N2OS.C5H11NO2.C4H8O2.C4H6OS/c30-18-7-15(8-19(31)11-18)6-17(9-20(40)12-39-25-14-42-13-23(25)27(38-39)29(33,34)35)26-21(2-1-5-37-26)16-3-4-24(32)22(10-16)28(36)41;2*1-5(15)2-14-7-4-16-3-6(7)8(13-14)9(10,11)12;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;1-3-6-4(2)5;5-4-1-2-6-3-4/h1-5,7-8,10-11,17H,6,9,12-14H2,(H2,36,41);3*2-4H2,1H3;2-4,6H2,1H3;3H2,1-2H3;1-3H2/t17-;;;;;;/m1....../s1.

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

5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one) has a molecular weight of 1662.72 g/mol, XLogP of 14.09, 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)-4-oxo-5-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl acetate;ethyl 3-aminopropanoate;thiolan-3-one;1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]propan-2-one;bis(1-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]propan-2-one) is sourced from PubChem (CID 161190333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).