methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate

C121H135F4N31O17 — CID 159973627

IUPACmethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate
SMILESC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(NC(=O)OC)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCC(Nc3ccc(-c4ccco4)cc3)CC2)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-n4ncc(C)n4)cc3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(C4=CCCC4)c(O)c3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(C4=CCCC4)cc3)CC2F)cc1C(N)=O
InChIInChI=1S/C25H29FN6O4.C25H29FN6O3.C25H27N5O4.C24H27FN8O3.C22H23FN6O3/c1-36-24(35)29-23-19(22(28)34)14-32(30-23)25(8-10-27)9-11-31(15-21(25)26)13-16-6-7-18(20(33)12-16)17-4-2-3-5-17;1-35-24(34)29-23-20(22(28)33)15-32(30-23)25(10-12-27)11-13-31(16-21(25)26)14-17-6-8-19(9-7-17)18-4-2-3-5-18;1-33-23(31)15-21-20(24(27)32)16-30(29-21)25(12-13-26)10-8-19(9-11-25)28-18-6-4-17(5-7-18)22-3-2-14-34-22;1-16-12-28-33(29-16)18-5-3-17(4-6-18)13-31-10-8-24(7-9-26,21(25)15-31)32-14-19(23(27)35)20(30-32)11-22(34)36-2;1-3-15-4-6-16(7-5-15)12-28-11-9-22(8-10-24,18(23)14-28)29-13-17(19(25)30)20(27-29)26-21(31)32-2/h4,6-7,12,14,21,33H,2-3,5,8-9,11,13,15H2,1H3,(H2,28,34)(H,29,30,35);4,6-9,15,21H,2-3,5,10-11,13-14,16H2,1H3,(H2,28,33)(H,29,30,34);2-7,14,16,19,28H,8-12,15H2,1H3,(H2,27,32);3-6,12,14,21H,7-8,10-11,13,15H2,1-2H3,(H2,27,35);1,4-7,13,18H,8-9,11-12,14H2,2H3,(H2,25,30)(H,26,27,31)
InChIKeyOEWICBXTUKBBDR-UHFFFAOYSA-N
MW2371.60 g/mol
LogP13.92
Rot. Bonds36

About methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate

methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate (PubChem CID 159973627) has the molecular formula C121H135F4N31O17 and a molecular weight of 2371.60 g/mol. Its IUPAC name is methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate
PubChem CID159973627
Molecular FormulaC121H135F4N31O17
Molecular Weight2371.60 g/mol
Exact Mass2370.06
IUPAC Namemethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate
SMILESC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(NC(=O)OC)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCC(Nc3ccc(-c4ccco4)cc3)CC2)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-n4ncc(C)n4)cc3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(C4=CCCC4)c(O)c3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(C4=CCCC4)cc3)CC2F)cc1C(N)=O
InChIInChI=1S/C25H29FN6O4.C25H29FN6O3.C25H27N5O4.C24H27FN8O3.C22H23FN6O3/c1-36-24(35)29-23-19(22(28)34)14-32(30-23)25(8-10-27)9-11-31(15-21(25)26)13-16-6-7-18(20(33)12-16)17-4-2-3-5-17;1-35-24(34)29-23-20(22(28)33)15-32(30-23)25(10-12-27)11-13-31(16-21(25)26)14-17-6-8-19(9-7-17)18-4-2-3-5-18;1-33-23(31)15-21-20(24(27)32)16-30(29-21)25(12-13-26)10-8-19(9-11-25)28-18-6-4-17(5-7-18)22-3-2-14-34-22;1-16-12-28-33(29-16)18-5-3-17(4-6-18)13-31-10-8-24(7-9-26,21(25)15-31)32-14-19(23(27)35)20(30-32)11-22(34)36-2;1-3-15-4-6-16(7-5-15)12-28-11-9-22(8-10-24,18(23)14-28)29-13-17(19(25)30)20(27-29)26-21(31)32-2/h4,6-7,12,14,21,33H,2-3,5,8-9,11,13,15H2,1H3,(H2,28,34)(H,29,30,35);4,6-9,15,21H,2-3,5,10-11,13-14,16H2,1H3,(H2,28,33)(H,29,30,34);2-7,14,16,19,28H,8-12,15H2,1H3,(H2,27,32);3-6,12,14,21H,7-8,10-11,13,15H2,1-2H3,(H2,27,35);1,4-7,13,18H,8-9,11-12,14H2,2H3,(H2,25,30)(H,26,27,31)
InChIKeyOEWICBXTUKBBDR-UHFFFAOYSA-N
XLogP13.92
TPSA680.16 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds36
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002371.60
LogP ≤ 513.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate?
The IUPAC name of methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate (CID 159973627) is methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate.
What is the SMILES notation for methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate?
The canonical SMILES for methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate is C#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(NC(=O)OC)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCC(Nc3ccc(-c4ccco4)cc3)CC2)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-n4ncc(C)n4)cc3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(C4=CCCC4)c(O)c3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(C4=CCCC4)cc3)CC2F)cc1C(N)=O.
What is the InChIKey of methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate?
The InChIKey is OEWICBXTUKBBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O4.C25H29FN6O3.C25H27N5O4.C24H27FN8O3.C22H23FN6O3/c1-36-24(35)29-23-19(22(28)34)14-32(30-23)25(8-10-27)9-11-31(15-21(25)26)13-16-6-7-18(20(33)12-16)17-4-2-3-5-17;1-35-24(34)29-23-20(22(28)33)15-32(30-23)25(10-12-27)11-13-31(16-21(25)26)14-17-6-8-19(9-7-17)18-4-2-3-5-18;1-33-23(31)15-21-20(24(27)32)16-30(29-21)25(12-13-26)10-8-19(9-11-25)28-18-6-4-17(5-7-18)22-3-2-14-34-22;1-16-12-28-33(29-16)18-5-3-17(4-6-18)13-31-10-8-24(7-9-26,21(25)15-31)32-14-19(23(27)35)20(30-32)11-22(34)36-2;1-3-15-4-6-16(7-5-15)12-28-11-9-22(8-10-24,18(23)14-28)29-13-17(19(25)30)20(27-29)26-21(31)32-2/h4,6-7,12,14,21,33H,2-3,5,8-9,11,13,15H2,1H3,(H2,28,34)(H,29,30,35);4,6-9,15,21H,2-3,5,10-11,13-14,16H2,1H3,(H2,28,33)(H,29,30,34);2-7,14,16,19,28H,8-12,15H2,1H3,(H2,27,32);3-6,12,14,21H,7-8,10-11,13,15H2,1-2H3,(H2,27,35);1,4-7,13,18H,8-9,11-12,14H2,2H3,(H2,25,30)(H,26,27,31).
What are the key properties of methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate?
methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate has a molecular weight of 2371.60 g/mol, XLogP of 13.92, 36 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]pyrazol-3-yl]acetate is sourced from PubChem (CID 159973627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).