N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate

C109H126FN15O9 — CID 158880237

IUPACN-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
SMILESCCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21.CCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21.CCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21.Cc1ccc(Cn2nc(C(=O)NC(C(N)=O)C(C)C)c3ccccc32)cc1.O=C(Oc1cccc2cccnc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2.C23H31N3O.C23H22N2O2.C21H24N4O2.C19H28N4O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21;1-2-3-6-9-26-20-8-5-4-7-19(20)22(25-26)23(27)24-21-17-11-15-10-16(13-17)14-18(21)12-15;1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21;1-13(2)18(20(22)26)23-21(27)19-16-6-4-5-7-17(16)25(24-19)12-15-10-8-14(3)9-11-15;1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h2-3,6-12,14,16H,1,4-5,13,15H2;4-5,7-8,15-18,21H,2-3,6,9-14H2,1H3,(H,24,27);4-5,7-14,16H,2-3,6,15H2,1H3;4-11,13,18H,12H2,1-3H3,(H2,22,26)(H,23,27);7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,20,24)(H,21,25)
InChIKeyJCYDGHXJGQLRSW-UHFFFAOYSA-N
MW1809.30 g/mol
LogP21.42
Rot. Bonds32

About N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate

N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate (PubChem CID 158880237) has the molecular formula C109H126FN15O9 and a molecular weight of 1809.30 g/mol. Its IUPAC name is N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate.

Molecular Properties

Compound NameN-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
PubChem CID158880237
Molecular FormulaC109H126FN15O9
Molecular Weight1809.30 g/mol
Exact Mass1807.98
IUPAC NameN-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
SMILESCCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21.CCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21.CCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21.Cc1ccc(Cn2nc(C(=O)NC(C(N)=O)C(C)C)c3ccccc32)cc1.O=C(Oc1cccc2cccnc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2.C23H31N3O.C23H22N2O2.C21H24N4O2.C19H28N4O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21;1-2-3-6-9-26-20-8-5-4-7-19(20)22(25-26)23(27)24-21-17-11-15-10-16(13-17)14-18(21)12-15;1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21;1-13(2)18(20(22)26)23-21(27)19-16-6-4-5-7-17(16)25(24-19)12-15-10-8-14(3)9-11-15;1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h2-3,6-12,14,16H,1,4-5,13,15H2;4-5,7-8,15-18,21H,2-3,6,9-14H2,1H3,(H,24,27);4-5,7-14,16H,2-3,6,15H2,1H3;4-11,13,18H,12H2,1-3H3,(H2,22,26)(H,23,27);7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,20,24)(H,21,25)
InChIKeyJCYDGHXJGQLRSW-UHFFFAOYSA-N
XLogP21.42
TPSA315.18 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.30
LogP ≤ 521.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate?
The IUPAC name of N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate (CID 158880237) is N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate.
What is the SMILES notation for N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate?
The canonical SMILES for N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate is CCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21.CCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21.CCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21.Cc1ccc(Cn2nc(C(=O)NC(C(N)=O)C(C)C)c3ccccc32)cc1.O=C(Oc1cccc2cccnc12)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate?
The InChIKey is JCYDGHXJGQLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2.C23H31N3O.C23H22N2O2.C21H24N4O2.C19H28N4O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21;1-2-3-6-9-26-20-8-5-4-7-19(20)22(25-26)23(27)24-21-17-11-15-10-16(13-17)14-18(21)12-15;1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21;1-13(2)18(20(22)26)23-21(27)19-16-6-4-5-7-17(16)25(24-19)12-15-10-8-14(3)9-11-15;1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h2-3,6-12,14,16H,1,4-5,13,15H2;4-5,7-8,15-18,21H,2-3,6,9-14H2,1H3,(H,24,27);4-5,7-14,16H,2-3,6,15H2,1H3;4-11,13,18H,12H2,1-3H3,(H2,22,26)(H,23,27);7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,20,24)(H,21,25).
What are the key properties of N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate?
N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate has a molecular weight of 1809.30 g/mol, XLogP of 21.42, 32 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate is sourced from PubChem (CID 158880237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).