N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate

C121H111Cl3FN27O7S5 — CID 158221371

About N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate

N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate (PubChem CID 158221371) has the molecular formula C121H111Cl3FN27O7S5 and a molecular weight of 2341.09 g/mol. Its IUPAC name is N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate
• PubChem CID: 158221371
• Molecular Formula: C121H111Cl3FN27O7S5
• Molecular Weight: 2341.09 g/mol
• Exact Mass: 2337.68
• IUPAC Name: N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate
• SMILES: CC(=O)Cc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCCCC3)c(-c3ncn[nH]3)s2)ccn1.CCN1CCN(C(c2ccc(Cl)cc2)c2cc(-c3ccnc(NC(C)=O)c3)sc2-c2ncn[nH]2)CC1.COC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCCCC3)c(-c3ncn[nH]3)s2)ccn1.OC(c1ccccc1F)c1cc(-c2ccncc2)sc1C1=NN=CC1.[C-]#[N+]c1c(-c2ccnc(NC(C)=O)c2)sc(-c2ncc[nH]2)c1C(O)c1ccc2ccccc2n1
• InChI: InChI=1S/C26H28ClN7OS.C26H26ClN5OS.C25H25ClN6O2S.C25H18N6O2S.C19H14FN3OS/c1-3-33-10-12-34(13-11-33)24(18-4-6-20(27)7-5-18)21-15-22(36-25(21)26-29-16-30-32-26)19-8-9-28-23(14-19)31-17(2)35;1-17(33)13-21-14-19(9-10-28-21)23-15-22(25(34-23)26-29-16-30-31-26)24(32-11-3-2-4-12-32)18-5-7-20(27)8-6-18;1-34-25(33)30-21-13-17(9-10-27-21)20-14-19(23(35-20)24-28-15-29-31-24)22(32-11-3-2-4-12-32)16-5-7-18(26)8-6-16;1-14(32)30-19-13-16(9-10-27-19)23-21(26-2)20(24(34-23)25-28-11-12-29-25)22(33)18-8-7-15-5-3-4-6-17(15)31-18;20-15-4-2-1-3-13(15)18(24)14-11-17(12-5-8-21-9-6-12)25-19(14)16-7-10-22-23-16/h4-9,14-16,24H,3,10-13H2,1-2H3,(H,28,31,35)(H,29,30,32);5-10,14-16,24H,2-4,11-13H2,1H3,(H,29,30,31);5-10,13-15,22H,2-4,11-12H2,1H3,(H,27,30,33)(H,28,29,31);3-13,22,33H,1H3,(H,28,29)(H,27,30,32);1-6,8-11,18,24H,7H2
• InChIKey: GDHANLVKQVDMJX-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 426.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.09
LogP ≤ 5	26.44
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 N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate?

The IUPAC name of N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate (CID 158221371) is N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate?

The canonical SMILES for N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate is CC(=O)Cc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCCCC3)c(-c3ncn[nH]3)s2)ccn1.CCN1CCN(C(c2ccc(Cl)cc2)c2cc(-c3ccnc(NC(C)=O)c3)sc2-c2ncn[nH]2)CC1.COC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCCCC3)c(-c3ncn[nH]3)s2)ccn1.OC(c1ccccc1F)c1cc(-c2ccncc2)sc1C1=NN=CC1.[C-]#[N+]c1c(-c2ccnc(NC(C)=O)c2)sc(-c2ncc[nH]2)c1C(O)c1ccc2ccccc2n1.

What is the InChIKey of N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate?

The InChIKey is GDHANLVKQVDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7OS.C26H26ClN5OS.C25H25ClN6O2S.C25H18N6O2S.C19H14FN3OS/c1-3-33-10-12-34(13-11-33)24(18-4-6-20(27)7-5-18)21-15-22(36-25(21)26-29-16-30-32-26)19-8-9-28-23(14-19)31-17(2)35;1-17(33)13-21-14-19(9-10-28-21)23-15-22(25(34-23)26-29-16-30-31-26)24(32-11-3-2-4-12-32)18-5-7-20(27)8-6-18;1-34-25(33)30-21-13-17(9-10-27-21)20-14-19(23(35-20)24-28-15-29-31-24)22(32-11-3-2-4-12-32)16-5-7-18(26)8-6-16;1-14(32)30-19-13-16(9-10-27-19)23-21(26-2)20(24(34-23)25-28-11-12-29-25)22(33)18-8-7-15-5-3-4-6-17(15)31-18;20-15-4-2-1-3-13(15)18(24)14-11-17(12-5-8-21-9-6-12)25-19(14)16-7-10-22-23-16/h4-9,14-16,24H,3,10-13H2,1-2H3,(H,28,31,35)(H,29,30,32);5-10,14-16,24H,2-4,11-13H2,1H3,(H,29,30,31);5-10,13-15,22H,2-4,11-12H2,1H3,(H,27,30,33)(H,28,29,31);3-13,22,33H,1H3,(H,28,29)(H,27,30,32);1-6,8-11,18,24H,7H2.

What are the key properties of N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate?

N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate has a molecular weight of 2341.09 g/mol, XLogP of 26.44, 29 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[hydroxy(quinolin-2-yl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]acetamide;methyl N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 158221371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).