bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)

C92H92Br2Cl10N24O20 — CID 158903927

About bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)

bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate) (PubChem CID 158903927) has the molecular formula C92H92Br2Cl10N24O20 and a molecular weight of 2368.23 g/mol. Its IUPAC name is bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate).

Molecular Properties

• Compound Name: bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)
• PubChem CID: 158903927
• Molecular Formula: C92H92Br2Cl10N24O20
• Molecular Weight: 2368.23 g/mol
• Exact Mass: 2360.22
• IUPAC Name: bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)
• SMILES: CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl
• InChI: InChI=1S/2C23H23BrCl2N6O5.2C23H23Cl3N6O5/c2*1-13-6-7-16(15(25)9-13)29-22(34)19-18(24)20(26)32(30-19)12-37-23(35)31(3)21-14(5-4-8-28-21)11-36-17(33)10-27-2;2*1-13-6-7-16(15(24)9-13)29-22(34)19-18(25)20(26)32(30-19)12-37-23(35)31(3)21-14(5-4-8-28-21)11-36-17(33)10-27-2/h4*4-9,27H,10-12H2,1-3H3,(H,29,34)
• InChIKey: JFUJYRRNZWLCIY-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 510.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.23
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)?

The IUPAC name of bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate) (CID 158903927) is bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate).

What is the SMILES notation for bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)?

The canonical SMILES for bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate) is CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CNCC(=O)OCc1cccnc1N(C)C(=O)OCn1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.

What is the InChIKey of bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)?

The InChIKey is JFUJYRRNZWLCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23BrCl2N6O5.2C23H23Cl3N6O5/c2*1-13-6-7-16(15(25)9-13)29-22(34)19-18(24)20(26)32(30-19)12-37-23(35)31(3)21-14(5-4-8-28-21)11-36-17(33)10-27-2;2*1-13-6-7-16(15(24)9-13)29-22(34)19-18(25)20(26)32(30-19)12-37-23(35)31(3)21-14(5-4-8-28-21)11-36-17(33)10-27-2/h4*4-9,27H,10-12H2,1-3H3,(H,29,34).

What are the key properties of bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate)?

bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate) has a molecular weight of 2368.23 g/mol, XLogP of 17.39, 36 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-[[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);bis([2-[[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate) is sourced from PubChem (CID 158903927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).