6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium

C107H124F4N8O23PS2WY- — CID 159426608

IUPAC6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium
SMILESNCCCCCCO.O=C(CCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCCCCC12.O=C(NCCCCCCO)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=C(O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=CCCCCCNC(=O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.OOOSP.[2H]S(C)=[W].[CH3-].[Y]
InChIInChI=1S/C28H31FN2O5.C28H29FN2O5.C22H18FNO5.C21H21FN2O4.C6H15NO.CH4S.CH3.H3O3PS.W.Y/c2*29-22-13-10-20(11-14-22)12-15-24(33)23-18-31-25(28(35)30-16-6-1-2-7-17-32)27(26(23)34)36-19-21-8-4-3-5-9-21;23-16-9-6-14(7-10-16)8-11-18(25)17-12-24-19(22(27)28)21(20(17)26)29-13-15-4-2-1-3-5-15;22-14-8-5-13(6-9-14)7-10-16(25)15-12-24-17-4-2-1-3-11-23(17)21(28)18(24)20(27)19(15)26;7-5-3-1-2-4-6-8;1-2;;1-2-3-5-4;;/h3-5,8-11,13-14,18,32H,1-2,6-7,12,15-17,19H2,(H,30,35)(H,31,34);3-5,8-11,13-14,17-18H,1-2,6-7,12,15-16,19H2,(H,30,35)(H,31,34);1-7,9-10,12H,8,11,13H2,(H,24,26)(H,27,28);5-6,8-9,12,17,27H,1-4,7,10-11H2;8H,1-7H2;2H,1H3;1H3;1H,4H2;;/q;;;;;;-1;;;/i/hD
InChIKeyQTMGICHMLIFMMJ-DYCDLGHISA-N
MW2335.05 g/mol
LogP17.57
Rot. Bonds47

About 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium

6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium (PubChem CID 159426608) has the molecular formula C107H124F4N8O23PS2WY- and a molecular weight of 2335.05 g/mol. Its IUPAC name is 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium.

Molecular Properties

Compound Name6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium
PubChem CID159426608
Molecular FormulaC107H124F4N8O23PS2WY-
Molecular Weight2335.05 g/mol
Exact Mass2333.65
IUPAC Name6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium
SMILESNCCCCCCO.O=C(CCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCCCCC12.O=C(NCCCCCCO)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=C(O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=CCCCCCNC(=O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.OOOSP.[2H]S(C)=[W].[CH3-].[Y]
InChIInChI=1S/C28H31FN2O5.C28H29FN2O5.C22H18FNO5.C21H21FN2O4.C6H15NO.CH4S.CH3.H3O3PS.W.Y/c2*29-22-13-10-20(11-14-22)12-15-24(33)23-18-31-25(28(35)30-16-6-1-2-7-17-32)27(26(23)34)36-19-21-8-4-3-5-9-21;23-16-9-6-14(7-10-16)8-11-18(25)17-12-24-19(22(27)28)21(20(17)26)29-13-15-4-2-1-3-5-15;22-14-8-5-13(6-9-14)7-10-16(25)15-12-24-17-4-2-1-3-11-23(17)21(28)18(24)20(27)19(15)26;7-5-3-1-2-4-6-8;1-2;;1-2-3-5-4;;/h3-5,8-11,13-14,18,32H,1-2,6-7,12,15-17,19H2,(H,30,35)(H,31,34);3-5,8-11,13-14,17-18H,1-2,6-7,12,15-16,19H2,(H,30,35)(H,31,34);1-7,9-10,12H,8,11,13H2,(H,24,26)(H,27,28);5-6,8-9,12,17,27H,1-4,7,10-11H2;8H,1-7H2;2H,1H3;1H3;1H,4H2;;/q;;;;;;-1;;;/i/hD
InChIKeyQTMGICHMLIFMMJ-DYCDLGHISA-N
XLogP17.57
TPSA474.83 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds47
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002335.05
LogP ≤ 517.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium?
The IUPAC name of 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium (CID 159426608) is 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium.
What is the SMILES notation for 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium?
The canonical SMILES for 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium is NCCCCCCO.O=C(CCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCCCCC12.O=C(NCCCCCCO)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=C(O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=CCCCCCNC(=O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.OOOSP.[2H]S(C)=[W].[CH3-].[Y].
What is the InChIKey of 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium?
The InChIKey is QTMGICHMLIFMMJ-DYCDLGHISA-N. The full InChI is InChI=1S/C28H31FN2O5.C28H29FN2O5.C22H18FNO5.C21H21FN2O4.C6H15NO.CH4S.CH3.H3O3PS.W.Y/c2*29-22-13-10-20(11-14-22)12-15-24(33)23-18-31-25(28(35)30-16-6-1-2-7-17-32)27(26(23)34)36-19-21-8-4-3-5-9-21;23-16-9-6-14(7-10-16)8-11-18(25)17-12-24-19(22(27)28)21(20(17)26)29-13-15-4-2-1-3-5-15;22-14-8-5-13(6-9-14)7-10-16(25)15-12-24-17-4-2-1-3-11-23(17)21(28)18(24)20(27)19(15)26;7-5-3-1-2-4-6-8;1-2;;1-2-3-5-4;;/h3-5,8-11,13-14,18,32H,1-2,6-7,12,15-17,19H2,(H,30,35)(H,31,34);3-5,8-11,13-14,17-18H,1-2,6-7,12,15-16,19H2,(H,30,35)(H,31,34);1-7,9-10,12H,8,11,13H2,(H,24,26)(H,27,28);5-6,8-9,12,17,27H,1-4,7,10-11H2;8H,1-7H2;2H,1H3;1H3;1H,4H2;;/q;;;;;;-1;;;/i/hD.
What are the key properties of 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium?
6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium has a molecular weight of 2335.05 g/mol, XLogP of 17.57, 47 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium is sourced from PubChem (CID 159426608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).