tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide

C96H80Cl8N22O10 — CID 157488300

IUPACtert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1
InChIInChI=1S/C29H31Cl2N5O4.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-29(2,3)40-28(39)36-14-12-35(13-15-36)18-19-4-6-20(7-5-19)26(37)33-24-10-8-21(30)16-23(24)27(38)34-25-11-9-22(31)17-32-25;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,33,37)(H,32,34,38);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32)
InChIKeyBWYXHBAIZXJMPR-UHFFFAOYSA-N
MW1985.46 g/mol
LogP20.15
Rot. Bonds24

About tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide

tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide (PubChem CID 157488300) has the molecular formula C96H80Cl8N22O10 and a molecular weight of 1985.46 g/mol. Its IUPAC name is tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Nametert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
PubChem CID157488300
Molecular FormulaC96H80Cl8N22O10
Molecular Weight1985.46 g/mol
Exact Mass1980.39
IUPAC Nametert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1
InChIInChI=1S/C29H31Cl2N5O4.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-29(2,3)40-28(39)36-14-12-35(13-15-36)18-19-4-6-20(7-5-19)26(37)33-24-10-8-21(30)16-23(24)27(38)34-25-11-9-22(31)17-32-25;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,33,37)(H,32,34,38);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32)
InChIKeyBWYXHBAIZXJMPR-UHFFFAOYSA-N
XLogP20.15
TPSA396.38 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.46
LogP ≤ 520.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide (CID 157488300) is tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide is CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1.
What is the InChIKey of tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is BWYXHBAIZXJMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N5O4.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-29(2,3)40-28(39)36-14-12-35(13-15-36)18-19-4-6-20(7-5-19)26(37)33-24-10-8-21(30)16-23(24)27(38)34-25-11-9-22(31)17-32-25;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,33,37)(H,32,34,38);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32).
What are the key properties of tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 1985.46 g/mol, XLogP of 20.15, 24 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 157488300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).