1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate

C138H150F5N29O14 — CID 159616298

IUPAC1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate
SMILESCCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)C(F)C3)cc2)n1.CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)OC)n4)C(F)C3)cc2)n1.Cc1c(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)C4CC4)n3)C(F)C2)ccc(-c2ccccc2)c1O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccco3)cc2)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccoc3)cc2)CC1F
InChIInChI=1S/C30H32FN5O3.C28H32FN7O2.2C27H28FN5O3.C26H30FN7O3/c1-19-22(9-10-23(28(19)38)20-5-3-2-4-6-20)16-35-14-12-30(11-13-32,27(31)18-35)36-17-24(29(33)39)25(34-36)15-26(37)21-7-8-21;1-2-35-13-9-23(32-35)20-5-3-19(4-6-20)16-34-14-11-28(10-12-30,26(29)18-34)36-17-22(27(31)38)24(33-36)15-25(37)21-7-8-21;28-25-16-32(14-18-1-3-19(4-2-18)21-7-12-36-17-21)11-9-27(25,8-10-29)33-15-22(26(30)35)23(31-33)13-24(34)20-5-6-20;28-25-17-32(15-18-3-5-20(6-4-18)24-2-1-13-36-24)12-10-27(25,9-11-29)33-16-21(26(30)35)22(31-33)14-23(34)19-7-8-19;1-3-33-12-8-21(30-33)19-6-4-18(5-7-19)15-32-13-10-26(9-11-28,23(27)17-32)34-16-20(25(29)36)22(31-34)14-24(35)37-2/h2-6,9-10,17,21,27,38H,7-8,11-12,14-16,18H2,1H3,(H2,33,39);3-6,9,13,17,21,26H,2,7-8,10-11,14-16,18H2,1H3,(H2,31,38);1-4,7,12,15,17,20,25H,5-6,8-9,11,13-14,16H2,(H2,30,35);1-6,13,16,19,25H,7-10,12,14-15,17H2,(H2,30,35);4-8,12,16,23H,3,9-10,13-15,17H2,1-2H3,(H2,29,36)
InChIKeyMNIDGOASWGGQRV-UHFFFAOYSA-N
MW2533.90 g/mol
LogP16.94
Rot. Bonds46

About 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate

1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate (PubChem CID 159616298) has the molecular formula C138H150F5N29O14 and a molecular weight of 2533.90 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate
PubChem CID159616298
Molecular FormulaC138H150F5N29O14
Molecular Weight2533.90 g/mol
Exact Mass2532.18
IUPAC Name1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate
SMILESCCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)C(F)C3)cc2)n1.CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)OC)n4)C(F)C3)cc2)n1.Cc1c(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)C4CC4)n3)C(F)C2)ccc(-c2ccccc2)c1O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccco3)cc2)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccoc3)cc2)CC1F
InChIInChI=1S/C30H32FN5O3.C28H32FN7O2.2C27H28FN5O3.C26H30FN7O3/c1-19-22(9-10-23(28(19)38)20-5-3-2-4-6-20)16-35-14-12-30(11-13-32,27(31)18-35)36-17-24(29(33)39)25(34-36)15-26(37)21-7-8-21;1-2-35-13-9-23(32-35)20-5-3-19(4-6-20)16-34-14-11-28(10-12-30,26(29)18-34)36-17-22(27(31)38)24(33-36)15-25(37)21-7-8-21;28-25-16-32(14-18-1-3-19(4-2-18)21-7-12-36-17-21)11-9-27(25,8-10-29)33-15-22(26(30)35)23(31-33)13-24(34)20-5-6-20;28-25-17-32(15-18-3-5-20(6-4-18)24-2-1-13-36-24)12-10-27(25,9-11-29)33-16-21(26(30)35)22(31-33)14-23(34)19-7-8-19;1-3-33-12-8-21(30-33)19-6-4-18(5-7-19)15-32-13-10-26(9-11-28,23(27)17-32)34-16-20(25(29)36)22(31-34)14-24(35)37-2/h2-6,9-10,17,21,27,38H,7-8,11-12,14-16,18H2,1H3,(H2,33,39);3-6,9,13,17,21,26H,2,7-8,10-11,14-16,18H2,1H3,(H2,31,38);1-4,7,12,15,17,20,25H,5-6,8-9,11,13-14,16H2,(H2,30,35);1-6,13,16,19,25H,7-10,12,14-15,17H2,(H2,30,35);4-8,12,16,23H,3,9-10,13-15,17H2,1-2H3,(H2,29,36)
InChIKeyMNIDGOASWGGQRV-UHFFFAOYSA-N
XLogP16.94
TPSA616.43 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002533.90
LogP ≤ 516.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-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-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate?
The IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate (CID 159616298) is 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate?
The canonical SMILES for 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate is CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)C(F)C3)cc2)n1.CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)OC)n4)C(F)C3)cc2)n1.Cc1c(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)C4CC4)n3)C(F)C2)ccc(-c2ccccc2)c1O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccco3)cc2)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccoc3)cc2)CC1F.
What is the InChIKey of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate?
The InChIKey is MNIDGOASWGGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3.C28H32FN7O2.2C27H28FN5O3.C26H30FN7O3/c1-19-22(9-10-23(28(19)38)20-5-3-2-4-6-20)16-35-14-12-30(11-13-32,27(31)18-35)36-17-24(29(33)39)25(34-36)15-26(37)21-7-8-21;1-2-35-13-9-23(32-35)20-5-3-19(4-6-20)16-34-14-11-28(10-12-30,26(29)18-34)36-17-22(27(31)38)24(33-36)15-25(37)21-7-8-21;28-25-16-32(14-18-1-3-19(4-2-18)21-7-12-36-17-21)11-9-27(25,8-10-29)33-15-22(26(30)35)23(31-33)13-24(34)20-5-6-20;28-25-17-32(15-18-3-5-20(6-4-18)24-2-1-13-36-24)12-10-27(25,9-11-29)33-16-21(26(30)35)22(31-33)14-23(34)19-7-8-19;1-3-33-12-8-21(30-33)19-6-4-18(5-7-19)15-32-13-10-26(9-11-28,23(27)17-32)34-16-20(25(29)36)22(31-34)14-24(35)37-2/h2-6,9-10,17,21,27,38H,7-8,11-12,14-16,18H2,1H3,(H2,33,39);3-6,9,13,17,21,26H,2,7-8,10-11,14-16,18H2,1H3,(H2,31,38);1-4,7,12,15,17,20,25H,5-6,8-9,11,13-14,16H2,(H2,30,35);1-6,13,16,19,25H,7-10,12,14-15,17H2,(H2,30,35);4-8,12,16,23H,3,9-10,13-15,17H2,1-2H3,(H2,29,36).
What are the key properties of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate?
1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate has a molecular weight of 2533.90 g/mol, XLogP of 16.94, 46 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate is sourced from PubChem (CID 159616298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).