tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane

C52H58Cl10N8O10 — CID 159353525

About tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane

tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane (PubChem CID 159353525) has the molecular formula C52H58Cl10N8O10 and a molecular weight of 1309.61 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane.

Molecular Properties

• Compound Name: tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane
• PubChem CID: 159353525
• Molecular Formula: C52H58Cl10N8O10
• Molecular Weight: 1309.61 g/mol
• Exact Mass: 1304.12
• IUPAC Name: tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane
• SMILES: ClCCl.Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(CC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl.Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNC(CC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl
• InChI: InChI=1S/C28H32Cl4N4O6.C23H24Cl4N4O4.CH2Cl2/c1-28(2,3)42-27(40)36-12-22(17(9-15(36)8-16(38)13-37)14-5-6-19(29)20(30)7-14)34-26(39)23-10-18(25(32)41-23)24-21(31)11-33-35(24)4;1-31-21(18(26)8-29-31)15-7-20(35-22(15)27)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-16(24)17(25)4-11;2-1-3/h5-7,10-11,15-17,22,37-38H,8-9,12-13H2,1-4H3,(H,34,39);2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34);1H2/t15?,16?,17-,22+;12?,13?,14-,19+;/m00./s1
• InChIKey: LHPYUXLEMKZYJE-NMCLNTQESA-N
• XLogP: 11.63
• TPSA: 242.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1309.61
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane?

The IUPAC name of tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane (CID 159353525) is tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane.

What is the SMILES notation for tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane?

The canonical SMILES for tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane is ClCCl.Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(CC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl.Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNC(CC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl.

What is the InChIKey of tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane?

The InChIKey is LHPYUXLEMKZYJE-NMCLNTQESA-N. The full InChI is InChI=1S/C28H32Cl4N4O6.C23H24Cl4N4O4.CH2Cl2/c1-28(2,3)42-27(40)36-12-22(17(9-15(36)8-16(38)13-37)14-5-6-19(29)20(30)7-14)34-26(39)23-10-18(25(32)41-23)24-21(31)11-33-35(24)4;1-31-21(18(26)8-29-31)15-7-20(35-22(15)27)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-16(24)17(25)4-11;2-1-3/h5-7,10-11,15-17,22,37-38H,8-9,12-13H2,1-4H3,(H,34,39);2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34);1H2/t15?,16?,17-,22+;12?,13?,14-,19+;/m00./s1.

What are the key properties of tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane?

tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane has a molecular weight of 1309.61 g/mol, XLogP of 11.63, 14 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)-2-(2,3-dihydroxypropyl)piperidine-1-carboxylate;5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide;dichloromethane is sourced from PubChem (CID 159353525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).