1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate

C124H137BrClF4N25O15 — CID 159060890

IUPAC1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
SMILESC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)OC)n3)C(F)C2)c(F)c1.CC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)OC)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3cc(O)c(Br)cc3Cl)CC2F)cc1C(N)=O.Cc1ccc(OC2(C)CN(C3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)CC3)C2)cc1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(C#CC3CC3)cc2)CC1
InChIInChI=1S/C28H35N5O3.C28H31N5O2.C24H26FN5O3.C23H23F2N5O3.C21H22BrClFN5O4/c1-19-3-7-22(8-4-19)36-27(2)17-32(18-27)21-9-11-28(12-10-21,13-14-29)33-16-23(26(30)35)24(31-33)15-25(34)20-5-6-20;29-14-11-28(33-19-24(27(30)35)25(31-33)17-26(34)23-9-10-23)12-15-32(16-13-28)18-22-7-5-21(6-8-22)4-3-20-1-2-20;1-3-4-17-5-7-18(8-6-17)14-29-12-10-24(9-11-26,21(25)16-29)30-15-19(23(27)32)20(28-30)13-22(31)33-2;1-3-15-4-5-16(18(24)10-15)12-29-9-7-23(6-8-26,20(25)14-29)30-13-17(22(27)32)19(28-30)11-21(31)33-2;1-33-19(31)8-16-13(20(26)32)10-29(27-16)21(2-4-25)3-5-28(11-18(21)24)9-12-6-17(30)14(22)7-15(12)23/h3-4,7-8,16,20-21H,5-6,9-13,15,17-18H2,1-2H3,(H2,30,35);5-8,19-20,23H,1-2,9-13,15-18H2,(H2,30,35);5-8,15,21H,9-10,12-14,16H2,1-2H3,(H2,27,32);1,4-5,10,13,20H,6-7,9,11-12,14H2,2H3,(H2,27,32);6-7,10,18,30H,2-3,5,8-9,11H2,1H3,(H2,26,32)
InChIKeyJYLLFSULUVUMSD-UHFFFAOYSA-N
MW2408.97 g/mol
LogP12.95
Rot. Bonds38

About 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate

1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate (PubChem CID 159060890) has the molecular formula C124H137BrClF4N25O15 and a molecular weight of 2408.97 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
PubChem CID159060890
Molecular FormulaC124H137BrClF4N25O15
Molecular Weight2408.97 g/mol
Exact Mass2405.95
IUPAC Name1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
SMILESC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)OC)n3)C(F)C2)c(F)c1.CC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)OC)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3cc(O)c(Br)cc3Cl)CC2F)cc1C(N)=O.Cc1ccc(OC2(C)CN(C3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)CC3)C2)cc1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(C#CC3CC3)cc2)CC1
InChIInChI=1S/C28H35N5O3.C28H31N5O2.C24H26FN5O3.C23H23F2N5O3.C21H22BrClFN5O4/c1-19-3-7-22(8-4-19)36-27(2)17-32(18-27)21-9-11-28(12-10-21,13-14-29)33-16-23(26(30)35)24(31-33)15-25(34)20-5-6-20;29-14-11-28(33-19-24(27(30)35)25(31-33)17-26(34)23-9-10-23)12-15-32(16-13-28)18-22-7-5-21(6-8-22)4-3-20-1-2-20;1-3-4-17-5-7-18(8-6-17)14-29-12-10-24(9-11-26,21(25)16-29)30-15-19(23(27)32)20(28-30)13-22(31)33-2;1-3-15-4-5-16(18(24)10-15)12-29-9-7-23(6-8-26,20(25)14-29)30-13-17(22(27)32)19(28-30)11-21(31)33-2;1-33-19(31)8-16-13(20(26)32)10-29(27-16)21(2-4-25)3-5-28(11-18(21)24)9-12-6-17(30)14(22)7-15(12)23/h3-4,7-8,16,20-21H,5-6,9-13,15,17-18H2,1-2H3,(H2,30,35);5-8,19-20,23H,1-2,9-13,15-18H2,(H2,30,35);5-8,15,21H,9-10,12-14,16H2,1-2H3,(H2,27,32);1,4-5,10,13,20H,6-7,9,11-12,14H2,2H3,(H2,27,32);6-7,10,18,30H,2-3,5,8-9,11H2,1H3,(H2,26,32)
InChIKeyJYLLFSULUVUMSD-UHFFFAOYSA-N
XLogP12.95
TPSA582.20 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002408.97
LogP ≤ 512.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate (CID 159060890) is 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The canonical SMILES for 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate is C#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)OC)n3)C(F)C2)c(F)c1.CC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)OC)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3cc(O)c(Br)cc3Cl)CC2F)cc1C(N)=O.Cc1ccc(OC2(C)CN(C3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)CC3)C2)cc1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(C#CC3CC3)cc2)CC1.
What is the InChIKey of 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The InChIKey is JYLLFSULUVUMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C28H31N5O2.C24H26FN5O3.C23H23F2N5O3.C21H22BrClFN5O4/c1-19-3-7-22(8-4-19)36-27(2)17-32(18-27)21-9-11-28(12-10-21,13-14-29)33-16-23(26(30)35)24(31-33)15-25(34)20-5-6-20;29-14-11-28(33-19-24(27(30)35)25(31-33)17-26(34)23-9-10-23)12-15-32(16-13-28)18-22-7-5-21(6-8-22)4-3-20-1-2-20;1-3-4-17-5-7-18(8-6-17)14-29-12-10-24(9-11-26,21(25)16-29)30-15-19(23(27)32)20(28-30)13-22(31)33-2;1-3-15-4-5-16(18(24)10-15)12-29-9-7-23(6-8-26,20(25)14-29)30-13-17(22(27)32)19(28-30)11-21(31)33-2;1-33-19(31)8-16-13(20(26)32)10-29(27-16)21(2-4-25)3-5-28(11-18(21)24)9-12-6-17(30)14(22)7-15(12)23/h3-4,7-8,16,20-21H,5-6,9-13,15,17-18H2,1-2H3,(H2,30,35);5-8,19-20,23H,1-2,9-13,15-18H2,(H2,30,35);5-8,15,21H,9-10,12-14,16H2,1-2H3,(H2,27,32);1,4-5,10,13,20H,6-7,9,11-12,14H2,2H3,(H2,27,32);6-7,10,18,30H,2-3,5,8-9,11H2,1H3,(H2,26,32).
What are the key properties of 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate has a molecular weight of 2408.97 g/mol, XLogP of 12.95, 38 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-[[4-(2-cyclopropylethynyl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-methyl-3-(4-methylphenoxy)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[1-[1-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-ethynyl-2-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-ynylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate is sourced from PubChem (CID 159060890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).