(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol

C113H92Cl2FN27O5S5 — CID 161254952

About (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol

(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol (PubChem CID 161254952) has the molecular formula C113H92Cl2FN27O5S5 and a molecular weight of 2158.40 g/mol. Its IUPAC name is (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol.

Molecular Properties

• Compound Name: (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol
• PubChem CID: 161254952
• Molecular Formula: C113H92Cl2FN27O5S5
• Molecular Weight: 2158.40 g/mol
• Exact Mass: 2155.57
• IUPAC Name: (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol
• SMILES: CNC1CN(C(c2ccc(Cl)cc2)c2cc(-c3ccnc(NC(C)=O)c3)sc2-c2ncn[nH]2)C1.COc1cc(C(O)c2cc(-c3ccnnc3)sc2-c2ncc[nH]2)c(F)cc1Cl.OC(c1cc(-c2ccncc2)sc1C1=NN=CC1)c1cccc2nccnc12.OC(c1ccc2ccccc2n1)c1cc(-c2ccccc2)sc1-c1ncn[nH]1.[C-]#[N+]c1c(-c2ccnnc2)sc(-c2ncn[nH]2)c1C(c1ccc2ccccc2c1)N1CCCCC1
• InChI: InChI=1S/C27H23N7S.C24H24ClN7OS.C22H16N4OS.C21H15N5OS.C19H14ClFN4O2S/c1-28-23-22(26(27-29-17-32-33-27)35-25(23)21-11-12-30-31-16-21)24(34-13-5-2-6-14-34)20-10-9-18-7-3-4-8-19(18)15-20;1-14(33)30-21-9-16(7-8-27-21)20-10-19(23(34-20)24-28-13-29-31-24)22(32-11-18(12-32)26-2)15-3-5-17(25)6-4-15;27-20(18-11-10-14-6-4-5-9-17(14)25-18)16-12-19(15-7-2-1-3-8-15)28-21(16)22-23-13-24-26-22;27-20(14-2-1-3-16-19(14)24-11-10-23-16)15-12-18(13-4-7-22-8-5-13)28-21(15)17-6-9-25-26-17;1-27-15-6-11(14(21)8-13(15)20)17(26)12-7-16(10-2-3-24-25-9-10)28-18(12)19-22-4-5-23-19/h3-4,7-12,15-17,24H,2,5-6,13-14H2,(H,29,32,33);3-10,13,18,22,26H,11-12H2,1-2H3,(H,27,30,33)(H,28,29,31);1-13,20,27H,(H,23,24,26);1-5,7-12,20,27H,6H2;2-9,17,26H,1H3,(H,22,23)
• InChIKey: VBUAJGHGHRPPGL-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 416.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.40
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol?

The IUPAC name of (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol (CID 161254952) is (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol.

What is the SMILES notation for (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol?

The canonical SMILES for (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol is CNC1CN(C(c2ccc(Cl)cc2)c2cc(-c3ccnc(NC(C)=O)c3)sc2-c2ncn[nH]2)C1.COc1cc(C(O)c2cc(-c3ccnnc3)sc2-c2ncc[nH]2)c(F)cc1Cl.OC(c1cc(-c2ccncc2)sc1C1=NN=CC1)c1cccc2nccnc12.OC(c1ccc2ccccc2n1)c1cc(-c2ccccc2)sc1-c1ncn[nH]1.[C-]#[N+]c1c(-c2ccnnc2)sc(-c2ncn[nH]2)c1C(c1ccc2ccccc2c1)N1CCCCC1.

What is the InChIKey of (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol?

The InChIKey is VBUAJGHGHRPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7S.C24H24ClN7OS.C22H16N4OS.C21H15N5OS.C19H14ClFN4O2S/c1-28-23-22(26(27-29-17-32-33-27)35-25(23)21-11-12-30-31-16-21)24(34-13-5-2-6-14-34)20-10-9-18-7-3-4-8-19(18)15-20;1-14(33)30-21-9-16(7-8-27-21)20-10-19(23(34-20)24-28-13-29-31-24)22(32-11-18(12-32)26-2)15-3-5-17(25)6-4-15;27-20(18-11-10-14-6-4-5-9-17(14)25-18)16-12-19(15-7-2-1-3-8-15)28-21(16)22-23-13-24-26-22;27-20(14-2-1-3-16-19(14)24-11-10-23-16)15-12-18(13-4-7-22-8-5-13)28-21(15)17-6-9-25-26-17;1-27-15-6-11(14(21)8-13(15)20)17(26)12-7-16(10-2-3-24-25-9-10)28-18(12)19-22-4-5-23-19/h3-4,7-12,15-17,24H,2,5-6,13-14H2,(H,29,32,33);3-10,13,18,22,26H,11-12H2,1-2H3,(H,27,30,33)(H,28,29,31);1-13,20,27H,(H,23,24,26);1-5,7-12,20,27H,6H2;2-9,17,26H,1H3,(H,22,23).

What are the key properties of (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol?

(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol has a molecular weight of 2158.40 g/mol, XLogP of 23.79, 25 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[3-(methylamino)azetidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-[3-isocyano-4-[naphthalen-2-yl(piperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]pyridazine;[5-phenyl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]-quinolin-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-quinoxalin-5-ylmethanol is sourced from PubChem (CID 161254952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).