1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea

C190H199Cl5F8N40O8S8 — CID 158266120

IUPAC1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
SMILESCCCCCc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1.Cc1cc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)ccc1Cl.Cc1ccc(F)c(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)c1.Cc1ccc(Oc2cc(N3CCC(NC(=S)Nc4cccnc4)CC3)nc(C(F)(F)F)c2)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2C(F)(F)F)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)cc1Cl.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)cc1F
InChIInChI=1S/C27H33N5OS.2C24H24F3N5OS.2C23H23Cl2N5OS.C23H23ClFN5OS.C23H24FN5OS.C23H25N5OS/c1-2-3-4-6-21-8-10-24(11-9-21)33-25-12-16-29-26(19-25)32-17-13-22(14-18-32)30-27(34)31-23-7-5-15-28-20-23;1-16-4-6-19(7-5-16)33-20-8-12-29-22(21(20)24(25,26)27)32-13-9-17(10-14-32)30-23(34)31-18-3-2-11-28-15-18;1-16-4-6-19(7-5-16)33-20-13-21(24(25,26)27)31-22(14-20)32-11-8-17(9-12-32)29-23(34)30-18-3-2-10-28-15-18;1-15-13-18(4-5-19(15)24)31-20-6-10-27-22(21(20)25)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-15-4-5-18(13-19(15)24)31-20-6-10-27-22(21(20)25)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-15-4-5-18(13-19(15)25)31-20-6-10-27-22(21(20)24)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-16-4-5-20(24)21(13-16)30-19-6-10-26-22(14-19)29-11-7-17(8-12-29)27-23(31)28-18-3-2-9-25-15-18;1-17-4-6-20(7-5-17)29-21-8-12-25-22(15-21)28-13-9-18(10-14-28)26-23(30)27-19-3-2-11-24-16-19/h5,7-12,15-16,19-20,22H,2-4,6,13-14,17-18H2,1H3,(H2,30,31,34);2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,30,31,34);2-7,10,13-15,17H,8-9,11-12H2,1H3,(H2,29,30,34);3*2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,28,29,32);2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H2,27,28,31);2-8,11-12,15-16,18H,9-10,13-14H2,1H3,(H2,26,27,30)
InChIKeyGILPKYAFBDCUNV-UHFFFAOYSA-N
MW3756.74 g/mol
LogP43.27
Rot. Bonds44

About 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea

1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea (PubChem CID 158266120) has the molecular formula C190H199Cl5F8N40O8S8 and a molecular weight of 3756.74 g/mol. Its IUPAC name is 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
PubChem CID158266120
Molecular FormulaC190H199Cl5F8N40O8S8
Molecular Weight3756.74 g/mol
Exact Mass3751.25
IUPAC Name1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
SMILESCCCCCc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1.Cc1cc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)ccc1Cl.Cc1ccc(F)c(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)c1.Cc1ccc(Oc2cc(N3CCC(NC(=S)Nc4cccnc4)CC3)nc(C(F)(F)F)c2)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2C(F)(F)F)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)cc1Cl.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)cc1F
InChIInChI=1S/C27H33N5OS.2C24H24F3N5OS.2C23H23Cl2N5OS.C23H23ClFN5OS.C23H24FN5OS.C23H25N5OS/c1-2-3-4-6-21-8-10-24(11-9-21)33-25-12-16-29-26(19-25)32-17-13-22(14-18-32)30-27(34)31-23-7-5-15-28-20-23;1-16-4-6-19(7-5-16)33-20-8-12-29-22(21(20)24(25,26)27)32-13-9-17(10-14-32)30-23(34)31-18-3-2-11-28-15-18;1-16-4-6-19(7-5-16)33-20-13-21(24(25,26)27)31-22(14-20)32-11-8-17(9-12-32)29-23(34)30-18-3-2-10-28-15-18;1-15-13-18(4-5-19(15)24)31-20-6-10-27-22(21(20)25)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-15-4-5-18(13-19(15)24)31-20-6-10-27-22(21(20)25)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-15-4-5-18(13-19(15)25)31-20-6-10-27-22(21(20)24)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-16-4-5-20(24)21(13-16)30-19-6-10-26-22(14-19)29-11-7-17(8-12-29)27-23(31)28-18-3-2-9-25-15-18;1-17-4-6-20(7-5-17)29-21-8-12-25-22(15-21)28-13-9-18(10-14-28)26-23(30)27-19-3-2-11-24-16-19/h5,7-12,15-16,19-20,22H,2-4,6,13-14,17-18H2,1H3,(H2,30,31,34);2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,30,31,34);2-7,10,13-15,17H,8-9,11-12H2,1H3,(H2,29,30,34);3*2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,28,29,32);2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H2,27,28,31);2-8,11-12,15-16,18H,9-10,13-14H2,1H3,(H2,26,27,30)
InChIKeyGILPKYAFBDCUNV-UHFFFAOYSA-N
XLogP43.27
TPSA498.48 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003756.74
LogP ≤ 543.27
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea (CID 158266120) is 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea is CCCCCc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1.Cc1cc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)ccc1Cl.Cc1ccc(F)c(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)c1.Cc1ccc(Oc2cc(N3CCC(NC(=S)Nc4cccnc4)CC3)nc(C(F)(F)F)c2)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2C(F)(F)F)cc1.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)cc1Cl.Cc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2Cl)cc1F.
What is the InChIKey of 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea?
The InChIKey is GILPKYAFBDCUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OS.2C24H24F3N5OS.2C23H23Cl2N5OS.C23H23ClFN5OS.C23H24FN5OS.C23H25N5OS/c1-2-3-4-6-21-8-10-24(11-9-21)33-25-12-16-29-26(19-25)32-17-13-22(14-18-32)30-27(34)31-23-7-5-15-28-20-23;1-16-4-6-19(7-5-16)33-20-8-12-29-22(21(20)24(25,26)27)32-13-9-17(10-14-32)30-23(34)31-18-3-2-11-28-15-18;1-16-4-6-19(7-5-16)33-20-13-21(24(25,26)27)31-22(14-20)32-11-8-17(9-12-32)29-23(34)30-18-3-2-10-28-15-18;1-15-13-18(4-5-19(15)24)31-20-6-10-27-22(21(20)25)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-15-4-5-18(13-19(15)24)31-20-6-10-27-22(21(20)25)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-15-4-5-18(13-19(15)25)31-20-6-10-27-22(21(20)24)30-11-7-16(8-12-30)28-23(32)29-17-3-2-9-26-14-17;1-16-4-5-20(24)21(13-16)30-19-6-10-26-22(14-19)29-11-7-17(8-12-29)27-23(31)28-18-3-2-9-25-15-18;1-17-4-6-20(7-5-17)29-21-8-12-25-22(15-21)28-13-9-18(10-14-28)26-23(30)27-19-3-2-11-24-16-19/h5,7-12,15-16,19-20,22H,2-4,6,13-14,17-18H2,1H3,(H2,30,31,34);2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,30,31,34);2-7,10,13-15,17H,8-9,11-12H2,1H3,(H2,29,30,34);3*2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,28,29,32);2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H2,27,28,31);2-8,11-12,15-16,18H,9-10,13-14H2,1H3,(H2,26,27,30).
What are the key properties of 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea?
1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea has a molecular weight of 3756.74 g/mol, XLogP of 43.27, 44 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-4-(3-chloro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(4-chloro-3-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[3-chloro-4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(2-fluoro-5-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-methylphenoxy)-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea;1-[1-[4-(4-pentylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 158266120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).