1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate

C140H147F5N24O16 — CID 159123680

IUPAC1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
SMILESCOC(=O)Cc1nn(C2(CC#N)CCN(Cc3cc(O)c(-c4ccccc4)cc3F)CC2F)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC(N2CC(F)(c3ccccc3)C2)CC1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC(Oc2ccc(-c3ccccc3)cc2)CC1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)OC3CC3)n2)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1
InChIInChI=1S/C29H29F2N5O3.C29H31N5O4.C29H30N4O3.C27H27F2N5O4.C26H30FN5O2/c30-23-13-21(18-4-2-1-3-5-18)26(38)12-20(23)15-35-11-9-29(8-10-32,27(31)17-35)36-16-22(28(33)39)24(34-36)14-25(37)19-6-7-19;30-13-10-29(34-19-24(28(31)37)25(32-34)17-27(36)38-22-7-8-22)11-14-33(15-12-29)18-20-6-9-23(26(35)16-20)21-4-2-1-3-5-21;30-17-16-29(33-19-25(28(31)35)26(32-33)18-27(34)22-6-7-22)14-12-24(13-15-29)36-23-10-8-21(9-11-23)20-4-2-1-3-5-20;1-38-25(36)13-22-20(26(31)37)15-34(32-22)27(7-9-30)8-10-33(16-24(27)29)14-18-11-23(35)19(12-21(18)28)17-5-3-2-4-6-17;27-26(19-4-2-1-3-5-19)16-31(17-26)20-8-10-25(11-9-20,12-13-28)32-15-21(24(29)34)22(30-32)14-23(33)18-6-7-18/h1-5,12-13,16,19,27,38H,6-9,11,14-15,17H2,(H2,33,39);1-6,9,16,19,22,35H,7-8,10-12,14-15,17-18H2,(H2,31,37);1-5,8-11,19,22,24H,6-7,12-16,18H2,(H2,31,35);2-6,11-12,15,24,35H,7-8,10,13-14,16H2,1H3,(H2,31,37);1-5,15,18,20H,6-12,14,16-17H2,(H2,29,34)
InChIKeyKGABGTBEBGRRTN-UHFFFAOYSA-N
MW2516.86 g/mol
LogP18.48
Rot. Bonds43

About 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate

1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate (PubChem CID 159123680) has the molecular formula C140H147F5N24O16 and a molecular weight of 2516.86 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
PubChem CID159123680
Molecular FormulaC140H147F5N24O16
Molecular Weight2516.86 g/mol
Exact Mass2515.13
IUPAC Name1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
SMILESCOC(=O)Cc1nn(C2(CC#N)CCN(Cc3cc(O)c(-c4ccccc4)cc3F)CC2F)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC(N2CC(F)(c3ccccc3)C2)CC1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC(Oc2ccc(-c3ccccc3)cc2)CC1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)OC3CC3)n2)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1
InChIInChI=1S/C29H29F2N5O3.C29H31N5O4.C29H30N4O3.C27H27F2N5O4.C26H30FN5O2/c30-23-13-21(18-4-2-1-3-5-18)26(38)12-20(23)15-35-11-9-29(8-10-32,27(31)17-35)36-16-22(28(33)39)24(34-36)14-25(37)19-6-7-19;30-13-10-29(34-19-24(28(31)37)25(32-34)17-27(36)38-22-7-8-22)11-14-33(15-12-29)18-20-6-9-23(26(35)16-20)21-4-2-1-3-5-21;30-17-16-29(33-19-25(28(31)35)26(32-33)18-27(34)22-6-7-22)14-12-24(13-15-29)36-23-10-8-21(9-11-23)20-4-2-1-3-5-20;1-38-25(36)13-22-20(26(31)37)15-34(32-22)27(7-9-30)8-10-33(16-24(27)29)14-18-11-23(35)19(12-21(18)28)17-5-3-2-4-6-17;27-26(19-4-2-1-3-5-19)16-31(17-26)20-8-10-25(11-9-20,12-13-28)32-15-21(24(29)34)22(30-32)14-23(33)18-6-7-18/h1-5,12-13,16,19,27,38H,6-9,11,14-15,17H2,(H2,33,39);1-6,9,16,19,22,35H,7-8,10-12,14-15,17-18H2,(H2,31,37);1-5,8-11,19,22,24H,6-7,12-16,18H2,(H2,31,35);2-6,11-12,15,24,35H,7-8,10,13-14,16H2,1H3,(H2,31,37);1-5,15,18,20H,6-12,14,16-17H2,(H2,29,34)
InChIKeyKGABGTBEBGRRTN-UHFFFAOYSA-N
XLogP18.48
TPSA610.19 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.86
LogP ≤ 518.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)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)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The IUPAC name of 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate (CID 159123680) is 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate.
What is the SMILES notation for 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The canonical SMILES for 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate is COC(=O)Cc1nn(C2(CC#N)CCN(Cc3cc(O)c(-c4ccccc4)cc3F)CC2F)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC(N2CC(F)(c3ccccc3)C2)CC1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC(Oc2ccc(-c3ccccc3)cc2)CC1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)OC3CC3)n2)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1.
What is the InChIKey of 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The InChIKey is KGABGTBEBGRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N5O3.C29H31N5O4.C29H30N4O3.C27H27F2N5O4.C26H30FN5O2/c30-23-13-21(18-4-2-1-3-5-18)26(38)12-20(23)15-35-11-9-29(8-10-32,27(31)17-35)36-16-22(28(33)39)24(34-36)14-25(37)19-6-7-19;30-13-10-29(34-19-24(28(31)37)25(32-34)17-27(36)38-22-7-8-22)11-14-33(15-12-29)18-20-6-9-23(26(35)16-20)21-4-2-1-3-5-21;30-17-16-29(33-19-25(28(31)35)26(32-33)18-27(34)22-6-7-22)14-12-24(13-15-29)36-23-10-8-21(9-11-23)20-4-2-1-3-5-20;1-38-25(36)13-22-20(26(31)37)15-34(32-22)27(7-9-30)8-10-33(16-24(27)29)14-18-11-23(35)19(12-21(18)28)17-5-3-2-4-6-17;27-26(19-4-2-1-3-5-19)16-31(17-26)20-8-10-25(11-9-20,12-13-28)32-15-21(24(29)34)22(30-32)14-23(33)18-6-7-18/h1-5,12-13,16,19,27,38H,6-9,11,14-15,17H2,(H2,33,39);1-6,9,16,19,22,35H,7-8,10-12,14-15,17-18H2,(H2,31,37);1-5,8-11,19,22,24H,6-7,12-16,18H2,(H2,31,35);2-6,11-12,15,24,35H,7-8,10,13-14,16H2,1H3,(H2,31,37);1-5,15,18,20H,6-12,14,16-17H2,(H2,29,34).
What are the key properties of 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate has a molecular weight of 2516.86 g/mol, XLogP of 18.48, 43 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate is sourced from PubChem (CID 159123680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).