2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine

C166H183N25O3S — CID 159717339

IUPAC2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESCO[C@@H](CN1CCC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1.Cc1ccc(-c2cc(C3CCN(C4CCN(S(C)(=O)=O)C4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1
InChIInChI=1S/C29H31N3.C28H31N5O.2C28H30N4.C27H29N5.C26H32N4O2S/c1-23-12-14-25(15-13-23)28-22-29(32(30-28)27-10-6-3-7-11-27)26-17-20-31(21-18-26)19-16-24-8-4-2-5-9-24;1-21-9-11-22(12-10-21)25-19-26(33(31-25)28-29-15-6-16-30-28)23-13-17-32(18-14-23)20-27(34-2)24-7-4-3-5-8-24;2*1-22-10-12-24(13-11-22)26-21-27(32(30-26)28-9-5-6-17-29-28)25-15-19-31(20-16-25)18-14-23-7-3-2-4-8-23;1-21-8-10-23(11-9-21)25-20-26(32(30-25)27-28-15-5-16-29-27)24-13-18-31(19-14-24)17-12-22-6-3-2-4-7-22;1-20-8-10-21(11-9-20)25-18-26(30(27-25)23-6-4-3-5-7-23)22-12-15-28(16-13-22)24-14-17-29(19-24)33(2,31)32/h2-15,22,26H,16-21H2,1H3;3-12,15-16,19,23,27H,13-14,17-18,20H2,1-2H3;2*2-13,17,21,25H,14-16,18-20H2,1H3;2-11,15-16,20,24H,12-14,17-19H2,1H3;3-11,18,22,24H,12-17,19H2,1-2H3/t;27-;;;;/m.0..../s1
InChIKeyMZPFTUIKGDYCOP-ASVPMHMXSA-N
MW2608.53 g/mol
LogP31.93
Rot. Bonds36

About 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine

2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (PubChem CID 159717339) has the molecular formula C166H183N25O3S and a molecular weight of 2608.53 g/mol. Its IUPAC name is 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
PubChem CID159717339
Molecular FormulaC166H183N25O3S
Molecular Weight2608.53 g/mol
Exact Mass2606.47
IUPAC Name2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESCO[C@@H](CN1CCC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1.Cc1ccc(-c2cc(C3CCN(C4CCN(S(C)(=O)=O)C4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1
InChIInChI=1S/C29H31N3.C28H31N5O.2C28H30N4.C27H29N5.C26H32N4O2S/c1-23-12-14-25(15-13-23)28-22-29(32(30-28)27-10-6-3-7-11-27)26-17-20-31(21-18-26)19-16-24-8-4-2-5-9-24;1-21-9-11-22(12-10-21)25-19-26(33(31-25)28-29-15-6-16-30-28)23-13-17-32(18-14-23)20-27(34-2)24-7-4-3-5-8-24;2*1-22-10-12-24(13-11-22)26-21-27(32(30-26)28-9-5-6-17-29-28)25-15-19-31(20-16-25)18-14-23-7-3-2-4-8-23;1-21-8-10-23(11-9-21)25-20-26(32(30-25)27-28-15-5-16-29-27)24-13-18-31(19-14-24)17-12-22-6-3-2-4-7-22;1-20-8-10-21(11-9-20)25-18-26(30(27-25)23-6-4-3-5-7-23)22-12-15-28(16-13-22)24-14-17-29(19-24)33(2,31)32/h2-15,22,26H,16-21H2,1H3;3-12,15-16,19,23,27H,13-14,17-18,20H2,1-2H3;2*2-13,17,21,25H,14-16,18-20H2,1H3;2-11,15-16,20,24H,12-14,17-19H2,1H3;3-11,18,22,24H,12-17,19H2,1-2H3/t;27-;;;;/m.0..../s1
InChIKeyMZPFTUIKGDYCOP-ASVPMHMXSA-N
XLogP31.93
TPSA250.31 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002608.53
LogP ≤ 531.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (CID 159717339) is 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine is CO[C@@H](CN1CCC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1.Cc1ccc(-c2cc(C3CCN(C4CCN(S(C)(=O)=O)C4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1.
What is the InChIKey of 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The InChIKey is MZPFTUIKGDYCOP-ASVPMHMXSA-N. The full InChI is InChI=1S/C29H31N3.C28H31N5O.2C28H30N4.C27H29N5.C26H32N4O2S/c1-23-12-14-25(15-13-23)28-22-29(32(30-28)27-10-6-3-7-11-27)26-17-20-31(21-18-26)19-16-24-8-4-2-5-9-24;1-21-9-11-22(12-10-21)25-19-26(33(31-25)28-29-15-6-16-30-28)23-13-17-32(18-14-23)20-27(34-2)24-7-4-3-5-8-24;2*1-22-10-12-24(13-11-22)26-21-27(32(30-26)28-9-5-6-17-29-28)25-15-19-31(20-16-25)18-14-23-7-3-2-4-8-23;1-21-8-10-23(11-9-21)25-20-26(32(30-25)27-28-15-5-16-29-27)24-13-18-31(19-14-24)17-12-22-6-3-2-4-7-22;1-20-8-10-21(11-9-20)25-18-26(30(27-25)23-6-4-3-5-7-23)22-12-15-28(16-13-22)24-14-17-29(19-24)33(2,31)32/h2-15,22,26H,16-21H2,1H3;3-12,15-16,19,23,27H,13-14,17-18,20H2,1-2H3;2*2-13,17,21,25H,14-16,18-20H2,1H3;2-11,15-16,20,24H,12-14,17-19H2,1H3;3-11,18,22,24H,12-17,19H2,1-2H3/t;27-;;;;/m.0..../s1.
What are the key properties of 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine has a molecular weight of 2608.53 g/mol, XLogP of 31.93, 36 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 159717339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).