1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate

C121H130ClF4N31O14 — CID 158453388

IUPAC1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
SMILESC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)C4CC4)n3)C(F)C2)c(Cl)c1.C#Cc1ccc(NC2CCC(CC#N)(n3cc(C(N)=O)c(NC(=O)C4CC4)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(C4CC4)cc3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ncco4)cc3)CC2F)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-n3nccn3)c(O)c2)CC1
InChIInChI=1S/C25H25ClFN5O2.C25H28N8O3.C24H25FN6O2.C24H28FN5O3.C23H24FN7O4/c1-2-16-3-4-18(20(26)11-16)13-31-10-8-25(7-9-28,23(27)15-31)32-14-19(24(29)34)21(30-32)12-22(33)17-5-6-17;26-8-5-25(32-16-19(24(27)36)20(30-32)14-22(34)18-2-3-18)6-11-31(12-7-25)15-17-1-4-21(23(35)13-17)33-28-9-10-29-33;1-2-15-3-7-17(8-4-15)28-18-9-10-24(11-12-26,20(25)13-18)31-14-19(21(27)32)22(30-31)29-23(33)16-5-6-16;1-33-22(31)12-20-19(23(27)32)14-30(28-20)24(8-10-26)9-11-29(15-21(24)25)13-16-2-4-17(5-3-16)18-6-7-18;1-34-22(33)28-20-17(19(26)32)13-31(29-20)23(6-8-25)7-10-30(14-18(23)24)12-15-2-4-16(5-3-15)21-27-9-11-35-21/h1,3-4,11,14,17,23H,5-8,10,12-13,15H2,(H2,29,34);1,4,9-10,13,16,18,35H,2-3,5-7,11-12,14-15H2,(H2,27,36);1,3-4,7-8,14,16,18,20,28H,5-6,9-11,13H2,(H2,27,32)(H,29,30,33);2-5,14,18,21H,6-9,11-13,15H2,1H3,(H2,27,32);2-5,9,11,13,18H,6-7,10,12,14H2,1H3,(H2,26,32)(H,28,29,33)
InChIKeyHEGUUKXDVDBSIP-UHFFFAOYSA-N
MW2354.02 g/mol
LogP12.71
Rot. Bonds39

About 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate

1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate (PubChem CID 158453388) has the molecular formula C121H130ClF4N31O14 and a molecular weight of 2354.02 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
PubChem CID158453388
Molecular FormulaC121H130ClF4N31O14
Molecular Weight2354.02 g/mol
Exact Mass2352.00
IUPAC Name1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
SMILESC#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)C4CC4)n3)C(F)C2)c(Cl)c1.C#Cc1ccc(NC2CCC(CC#N)(n3cc(C(N)=O)c(NC(=O)C4CC4)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(C4CC4)cc3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ncco4)cc3)CC2F)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-n3nccn3)c(O)c2)CC1
InChIInChI=1S/C25H25ClFN5O2.C25H28N8O3.C24H25FN6O2.C24H28FN5O3.C23H24FN7O4/c1-2-16-3-4-18(20(26)11-16)13-31-10-8-25(7-9-28,23(27)15-31)32-14-19(24(29)34)21(30-32)12-22(33)17-5-6-17;26-8-5-25(32-16-19(24(27)36)20(30-32)14-22(34)18-2-3-18)6-11-31(12-7-25)15-17-1-4-21(23(35)13-17)33-28-9-10-29-33;1-2-15-3-7-17(8-4-15)28-18-9-10-24(11-12-26,20(25)13-18)31-14-19(21(27)32)22(30-31)29-23(33)16-5-6-16;1-33-22(31)12-20-19(23(27)32)14-30(28-20)24(8-10-26)9-11-29(15-21(24)25)13-16-2-4-17(5-3-16)18-6-7-18;1-34-22(33)28-20-17(19(26)32)13-31(29-20)23(6-8-25)7-10-30(14-18(23)24)12-15-2-4-16(5-3-15)21-27-9-11-35-21/h1,3-4,11,14,17,23H,5-8,10,12-13,15H2,(H2,29,34);1,4,9-10,13,16,18,35H,2-3,5-7,11-12,14-15H2,(H2,27,36);1,3-4,7-8,14,16,18,20,28H,5-6,9-11,13H2,(H2,27,32)(H,29,30,33);2-5,14,18,21H,6-9,11-13,15H2,1H3,(H2,27,32);2-5,9,11,13,18H,6-7,10,12,14H2,1H3,(H2,26,32)(H,28,29,33)
InChIKeyHEGUUKXDVDBSIP-UHFFFAOYSA-N
XLogP12.71
TPSA653.33 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002354.02
LogP ≤ 512.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
The IUPAC name of 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate (CID 158453388) is 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate.
What is the SMILES notation for 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
The canonical SMILES for 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate is C#Cc1ccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(CC(=O)C4CC4)n3)C(F)C2)c(Cl)c1.C#Cc1ccc(NC2CCC(CC#N)(n3cc(C(N)=O)c(NC(=O)C4CC4)n3)C(F)C2)cc1.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(C4CC4)cc3)CC2F)cc1C(N)=O.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ncco4)cc3)CC2F)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-n3nccn3)c(O)c2)CC1.
What is the InChIKey of 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
The InChIKey is HEGUUKXDVDBSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O2.C25H28N8O3.C24H25FN6O2.C24H28FN5O3.C23H24FN7O4/c1-2-16-3-4-18(20(26)11-16)13-31-10-8-25(7-9-28,23(27)15-31)32-14-19(24(29)34)21(30-32)12-22(33)17-5-6-17;26-8-5-25(32-16-19(24(27)36)20(30-32)14-22(34)18-2-3-18)6-11-31(12-7-25)15-17-1-4-21(23(35)13-17)33-28-9-10-29-33;1-2-15-3-7-17(8-4-15)28-18-9-10-24(11-12-26,20(25)13-18)31-14-19(21(27)32)22(30-31)29-23(33)16-5-6-16;1-33-22(31)12-20-19(23(27)32)14-30(28-20)24(8-10-26)9-11-29(15-21(24)25)13-16-2-4-17(5-3-16)18-6-7-18;1-34-22(33)28-20-17(19(26)32)13-31(29-20)23(6-8-25)7-10-30(14-18(23)24)12-15-2-4-16(5-3-15)21-27-9-11-35-21/h1,3-4,11,14,17,23H,5-8,10,12-13,15H2,(H2,29,34);1,4,9-10,13,16,18,35H,2-3,5-7,11-12,14-15H2,(H2,27,36);1,3-4,7-8,14,16,18,20,28H,5-6,9-11,13H2,(H2,27,32)(H,29,30,33);2-5,14,18,21H,6-9,11-13,15H2,1H3,(H2,27,32);2-5,9,11,13,18H,6-7,10,12,14H2,1H3,(H2,26,32)(H,28,29,33).
What are the key properties of 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate has a molecular weight of 2354.02 g/mol, XLogP of 12.71, 39 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-ethynylphenyl)methyl]-4-(cyanomethyl)-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-ethynylanilino)-2-fluorocyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-hydroxy-4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(4-cyclopropylphenyl)methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate is sourced from PubChem (CID 158453388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).