1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile

C123H124Cl5N29O14 — CID 158987856

About 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile

1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile (PubChem CID 158987856) has the molecular formula C123H124Cl5N29O14 and a molecular weight of 2409.80 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile.

Molecular Properties

• Compound Name: 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile
• PubChem CID: 158987856
• Molecular Formula: C123H124Cl5N29O14
• Molecular Weight: 2409.80 g/mol
• Exact Mass: 2405.83
• IUPAC Name: 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile
• SMILES: CN(C)CCOc1nccc(-c2c(-c3ccc(Cl)cc3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.N#Cc1ccc(Oc2nccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CCN(C(=O)CO)CC3)n2)cc1.N#Cc1cccc(Oc2nccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CCN(C(=O)CO)CC3)n2)c1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccnc(NC3CCCC3)n2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3O)c2-c2ccncn2)CC1
• InChI: InChI=1S/2C27H23ClN6O3.C25H29ClN6O2.C24H29ClN6O3.C20H20ClN5O3/c28-20-5-3-18(4-6-20)25-24(26(33-32-25)19-10-13-34(14-11-19)23(36)16-35)22-9-12-30-27(31-22)37-21-7-1-17(15-29)2-8-21;28-20-6-4-18(5-7-20)25-24(26(33-32-25)19-9-12-34(13-10-19)23(36)16-35)22-8-11-30-27(31-22)37-21-3-1-2-17(14-21)15-29;26-18-7-5-16(6-8-18)23-22(20-9-12-27-25(29-20)28-19-3-1-2-4-19)24(31-30-23)17-10-13-32(14-11-17)21(34)15-33;1-30(2)13-14-34-24-26-10-7-19(27-24)21-22(16-3-5-18(25)6-4-16)28-29-23(21)17-8-11-31(12-9-17)20(33)15-32;21-13-1-2-14(16(28)9-13)20-18(15-3-6-22-11-23-15)19(24-25-20)12-4-7-26(8-5-12)17(29)10-27/h1-9,12,19,35H,10-11,13-14,16H2,(H,32,33);1-8,11,14,19,35H,9-10,12-13,16H2,(H,32,33);5-9,12,17,19,33H,1-4,10-11,13-15H2,(H,30,31)(H,27,28,29);3-7,10,17,32H,8-9,11-15H2,1-2H3,(H,28,29);1-3,6,9,11-12,27-28H,4-5,7-8,10H2,(H,24,25)
• InChIKey: JPUHRNQGFMAAMU-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 585.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.80
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?

The IUPAC name of 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile (CID 158987856) is 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile.

What is the SMILES notation for 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?

The canonical SMILES for 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile is CN(C)CCOc1nccc(-c2c(-c3ccc(Cl)cc3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.N#Cc1ccc(Oc2nccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CCN(C(=O)CO)CC3)n2)cc1.N#Cc1cccc(Oc2nccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CCN(C(=O)CO)CC3)n2)c1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccnc(NC3CCCC3)n2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3O)c2-c2ccncn2)CC1.

What is the InChIKey of 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?

The InChIKey is JPUHRNQGFMAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23ClN6O3.C25H29ClN6O2.C24H29ClN6O3.C20H20ClN5O3/c28-20-5-3-18(4-6-20)25-24(26(33-32-25)19-10-13-34(14-11-19)23(36)16-35)22-9-12-30-27(31-22)37-21-7-1-17(15-29)2-8-21;28-20-6-4-18(5-7-20)25-24(26(33-32-25)19-9-12-34(13-10-19)23(36)16-35)22-8-11-30-27(31-22)37-21-3-1-2-17(14-21)15-29;26-18-7-5-16(6-8-18)23-22(20-9-12-27-25(29-20)28-19-3-1-2-4-19)24(31-30-23)17-10-13-32(14-11-17)21(34)15-33;1-30(2)13-14-34-24-26-10-7-19(27-24)21-22(16-3-5-18(25)6-4-16)28-29-23(21)17-8-11-31(12-9-17)20(33)15-32;21-13-1-2-14(16(28)9-13)20-18(15-3-6-22-11-23-15)19(24-25-20)12-4-7-26(8-5-12)17(29)10-27/h1-9,12,19,35H,10-11,13-14,16H2,(H,32,33);1-8,11,14,19,35H,9-10,12-13,16H2,(H,32,33);5-9,12,17,19,33H,1-4,10-11,13-15H2,(H,30,31)(H,27,28,29);3-7,10,17,32H,8-9,11-15H2,1-2H3,(H,28,29);1-3,6,9,11-12,27-28H,4-5,7-8,10H2,(H,24,25).

What are the key properties of 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?

1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile has a molecular weight of 2409.80 g/mol, XLogP of 18.76, 30 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;3-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile;4-[4-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]oxybenzonitrile is sourced from PubChem (CID 158987856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).