1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate

C112H122FN23O13 — CID 159210747

IUPAC1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccccc4)c(O)c3)CC2)cc1C(N)=O.CCc1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)CC3)cc2O)cc1.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccccc4)c(O)c3)CC2)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1
InChIInChI=1S/C31H35N5O3.C28H29FN6O2.C27H30N6O4.C26H28N6O4/c1-2-21-3-6-23(7-4-21)25-10-5-22(17-29(25)38)19-35-15-12-31(11-14-32,13-16-35)36-20-26(30(33)39)27(34-36)18-28(37)24-8-9-24;29-26-21(8-9-23(32-26)19-4-2-1-3-5-19)17-34-14-11-28(10-13-30,12-15-34)35-18-22(27(31)37)24(33-35)16-25(36)20-6-7-20;1-2-37-26(36)30-25-22(24(29)35)18-33(31-25)27(10-13-28)11-14-32(15-12-27)17-19-8-9-21(23(34)16-19)20-6-4-3-5-7-20;1-36-25(35)29-24-21(23(28)34)17-32(30-24)26(9-12-27)10-13-31(14-11-26)16-18-7-8-20(22(33)15-18)19-5-3-2-4-6-19/h3-7,10,17,20,24,38H,2,8-9,11-13,15-16,18-19H2,1H3,(H2,33,39);1-5,8-9,18,20H,6-7,10-12,14-17H2,(H2,31,37);3-9,16,18,34H,2,10-12,14-15,17H2,1H3,(H2,29,35)(H,30,31,36);2-8,15,17,33H,9-11,13-14,16H2,1H3,(H2,28,34)(H,29,30,35)
InChIKeyKQLRSSVFKYYOHF-UHFFFAOYSA-N
MW2017.35 g/mol
LogP15.22
Rot. Bonds34

About 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate

1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate (PubChem CID 159210747) has the molecular formula C112H122FN23O13 and a molecular weight of 2017.35 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
PubChem CID159210747
Molecular FormulaC112H122FN23O13
Molecular Weight2017.35 g/mol
Exact Mass2015.96
IUPAC Name1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccccc4)c(O)c3)CC2)cc1C(N)=O.CCc1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)CC3)cc2O)cc1.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccccc4)c(O)c3)CC2)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1
InChIInChI=1S/C31H35N5O3.C28H29FN6O2.C27H30N6O4.C26H28N6O4/c1-2-21-3-6-23(7-4-21)25-10-5-22(17-29(25)38)19-35-15-12-31(11-14-32,13-16-35)36-20-26(30(33)39)27(34-36)18-28(37)24-8-9-24;29-26-21(8-9-23(32-26)19-4-2-1-3-5-19)17-34-14-11-28(10-13-30,12-15-34)35-18-22(27(31)37)24(33-35)16-25(36)20-6-7-20;1-2-37-26(36)30-25-22(24(29)35)18-33(31-25)27(10-13-28)11-14-32(15-12-27)17-19-8-9-21(23(34)16-19)20-6-4-3-5-7-20;1-36-25(35)29-24-21(23(28)34)17-32(30-24)26(9-12-27)10-13-31(14-11-26)16-18-7-8-20(22(33)15-18)19-5-3-2-4-6-19/h3-7,10,17,20,24,38H,2,8-9,11-13,15-16,18-19H2,1H3,(H2,33,39);1-5,8-9,18,20H,6-7,10-12,14-17H2,(H2,31,37);3-9,16,18,34H,2,10-12,14-15,17H2,1H3,(H2,29,35)(H,30,31,36);2-8,15,17,33H,9-11,13-14,16H2,1H3,(H2,28,34)(H,29,30,35)
InChIKeyKQLRSSVFKYYOHF-UHFFFAOYSA-N
XLogP15.22
TPSA536.14 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002017.35
LogP ≤ 515.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate with MolForge

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Related Compounds

1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[[3-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
CID 158108517
1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 159738804
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-[4-(cyanomethyl)-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;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 157214320
methyl 2-[1-[1-[(4-bromo-3-hydroxyphenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-4-carbamoylpyrazol-3-yl]acetate
CID 158530587
1-[4-(cyanomethyl)-1-[[4-[2-[1-(dimethylamino)ethenyl]phenyl]phenyl]methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 166883184
1-[(3R,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 159252671
1-[(3S,4R)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 159252672
1-[1-(cyanomethyl)-4-(4-ethynylanilino)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(furan-2-yl)anilino]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)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 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 159582980
1-[4-(cyanomethyl)-1-[[2-(methanesulfinamido)phenyl]methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 145394791
3-anilino-1-[4-(cyanomethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 89473524
3-anilino-1-[4-(cyanomethyl)-1-(2-methoxyacetyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462244
1-[4-(cyanomethyl)-1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89473423

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
The IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate (CID 159210747) is 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
The canonical SMILES for 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate is CCOC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccccc4)c(O)c3)CC2)cc1C(N)=O.CCc1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)CC3)cc2O)cc1.COC(=O)Nc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccccc4)c(O)c3)CC2)cc1C(N)=O.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1.
What is the InChIKey of 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
The InChIKey is KQLRSSVFKYYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3.C28H29FN6O2.C27H30N6O4.C26H28N6O4/c1-2-21-3-6-23(7-4-21)25-10-5-22(17-29(25)38)19-35-15-12-31(11-14-32,13-16-35)36-20-26(30(33)39)27(34-36)18-28(37)24-8-9-24;29-26-21(8-9-23(32-26)19-4-2-1-3-5-19)17-34-14-11-28(10-13-30,12-15-34)35-18-22(27(31)37)24(33-35)16-25(36)20-6-7-20;1-2-37-26(36)30-25-22(24(29)35)18-33(31-25)27(10-13-28)11-14-32(15-12-27)17-19-8-9-21(23(34)16-19)20-6-4-3-5-7-20;1-36-25(35)29-24-21(23(28)34)17-32(30-24)26(9-12-27)10-13-31(14-11-26)16-18-7-8-20(22(33)15-18)19-5-3-2-4-6-19/h3-7,10,17,20,24,38H,2,8-9,11-13,15-16,18-19H2,1H3,(H2,33,39);1-5,8-9,18,20H,6-7,10-12,14-17H2,(H2,31,37);3-9,16,18,34H,2,10-12,14-15,17H2,1H3,(H2,29,35)(H,30,31,36);2-8,15,17,33H,9-11,13-14,16H2,1H3,(H2,28,34)(H,29,30,35).
What are the key properties of 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate?
1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate has a molecular weight of 2017.35 g/mol, XLogP of 15.22, 34 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]carbamate is sourced from PubChem (CID 159210747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).