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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate

C110H129N15O9 — CID 158598318

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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
SMILESCCCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21.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
InChIInChI=1S/C24H24N2O2.C23H31N3O.C23H22N2O2.C21H24N4O2.C19H28N4O2/c1-2-3-4-7-16-26-17-20(19-12-5-6-13-21(19)26)24(27)28-22-14-8-10-18-11-9-15-25-23(18)22;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/h5-6,8-15,17H,2-4,7,16H2,1H3;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)
InChIKeyHVHPVASVQPYCQL-UHFFFAOYSA-N
MW1805.34 g/mol
LogP21.86
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-hexylindole-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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate (PubChem CID 158598318) has the molecular formula C110H129N15O9 and a molecular weight of 1805.34 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-hexylindole-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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
PubChem CID158598318
Molecular FormulaC110H129N15O9
Molecular Weight1805.34 g/mol
Exact Mass1804.01
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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
SMILESCCCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21.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
InChIInChI=1S/C24H24N2O2.C23H31N3O.C23H22N2O2.C21H24N4O2.C19H28N4O2/c1-2-3-4-7-16-26-17-20(19-12-5-6-13-21(19)26)24(27)28-22-14-8-10-18-11-9-15-25-23(18)22;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/h5-6,8-15,17H,2-4,7,16H2,1H3;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)
InChIKeyHVHPVASVQPYCQL-UHFFFAOYSA-N
XLogP21.86
TPSA315.18 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.34
LogP ≤ 521.86
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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate with MolForge

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Related Compounds

3-[4-(1-benzofuran-2-ylamino)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;N-[4-[4-carbamoyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazol-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide;3-[4-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 158853935
N-[4-[4-carbamoyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazol-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide;3-[4-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 159265459
4-cyclopropyl-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide;7-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-1H-indazole-5-carboxamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-propoxypyridine-2-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
CID 167695586
US12473304, Example 562
CID 156828803
2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole
CID 157423783
7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 158010148
5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1S)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(6-methyl-3-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158185228
[2-[4-[2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)-3-pyridinyl] 2,2-dimethylpropanoate;[2-[4-[2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)-3-pyridinyl] 2-methylpropanoate;[2-[4-[2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)-3-pyridinyl] propanoate
CID 158528861
4-amino-3-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-indazol-2-ylphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 158697999
4-amino-3-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-indazol-2-ylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 158698000
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
8-[(5S)-3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(1S)-4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;(1S)-4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium;2-methyl-1-(2-methylphenyl)pyrrole
CID 158953607

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-hexylindole-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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate (CID 158598318) 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-hexylindole-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-hexylindole-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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate is CCCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21.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.
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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate?
The InChIKey is HVHPVASVQPYCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2.C23H31N3O.C23H22N2O2.C21H24N4O2.C19H28N4O2/c1-2-3-4-7-16-26-17-20(19-12-5-6-13-21(19)26)24(27)28-22-14-8-10-18-11-9-15-25-23(18)22;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/h5-6,8-15,17H,2-4,7,16H2,1H3;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-hexylindole-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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate has a molecular weight of 1805.34 g/mol, XLogP of 21.86, 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-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate is sourced from PubChem (CID 158598318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).