3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide

C131H131FN30O15 — CID 157343587

IUPAC3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
SMILESCC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCCCC4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCOCC4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCc4ccc(F)cc4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCc4ccccc4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)OCc4ccccc4)c3)c2c1
InChIInChI=1S/C23H28N6O2.C22H18FN5O2.C22H26N6O3.C22H19N5O2.C22H18N4O3.C20H22N4O3/c24-22(30)17-8-9-20-19(15-17)21(28-27-20)16-6-4-7-18(14-16)26-23(31)25-10-5-13-29-11-2-1-3-12-29;23-16-7-4-13(5-8-16)12-25-22(30)26-17-3-1-2-14(10-17)20-18-11-15(21(24)29)6-9-19(18)27-28-20;23-21(29)16-5-6-19-18(14-16)20(27-26-19)15-3-1-4-17(13-15)25-22(30)24-7-2-8-28-9-11-31-12-10-28;23-21(28)16-9-10-19-18(12-16)20(27-26-19)15-7-4-8-17(11-15)25-22(29)24-13-14-5-2-1-3-6-14;23-21(27)16-9-10-19-18(12-16)20(26-25-19)15-7-4-8-17(11-15)24-22(28)29-13-14-5-2-1-3-6-14;1-20(2,3)11-27-19(26)22-14-6-4-5-12(9-14)17-15-10-13(18(21)25)7-8-16(15)23-24-17/h4,6-9,14-15H,1-3,5,10-13H2,(H2,24,30)(H,27,28)(H2,25,26,31);1-11H,12H2,(H2,24,29)(H,27,28)(H2,25,26,30);1,3-6,13-14H,2,7-12H2,(H2,23,29)(H,26,27)(H2,24,25,30);1-12H,13H2,(H2,23,28)(H,26,27)(H2,24,25,29);1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26);4-10H,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyBGROJTLPFUZUCO-UHFFFAOYSA-N
MW2384.68 g/mol
LogP20.94
Rot. Bonds33

About 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide

3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide (PubChem CID 157343587) has the molecular formula C131H131FN30O15 and a molecular weight of 2384.68 g/mol. Its IUPAC name is 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
PubChem CID157343587
Molecular FormulaC131H131FN30O15
Molecular Weight2384.68 g/mol
Exact Mass2383.04
IUPAC Name3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
SMILESCC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCCCC4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCOCC4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCc4ccc(F)cc4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCc4ccccc4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)OCc4ccccc4)c3)c2c1
InChIInChI=1S/C23H28N6O2.C22H18FN5O2.C22H26N6O3.C22H19N5O2.C22H18N4O3.C20H22N4O3/c24-22(30)17-8-9-20-19(15-17)21(28-27-20)16-6-4-7-18(14-16)26-23(31)25-10-5-13-29-11-2-1-3-12-29;23-16-7-4-13(5-8-16)12-25-22(30)26-17-3-1-2-14(10-17)20-18-11-15(21(24)29)6-9-19(18)27-28-20;23-21(29)16-5-6-19-18(14-16)20(27-26-19)15-3-1-4-17(13-15)25-22(30)24-7-2-8-28-9-11-31-12-10-28;23-21(28)16-9-10-19-18(12-16)20(27-26-19)15-7-4-8-17(11-15)25-22(29)24-13-14-5-2-1-3-6-14;23-21(27)16-9-10-19-18(12-16)20(26-25-19)15-7-4-8-17(11-15)24-22(28)29-13-14-5-2-1-3-6-14;1-20(2,3)11-27-19(26)22-14-6-4-5-12(9-14)17-15-10-13(18(21)25)7-8-16(15)23-24-17/h4,6-9,14-15H,1-3,5,10-13H2,(H2,24,30)(H,27,28)(H2,25,26,31);1-11H,12H2,(H2,24,29)(H,27,28)(H2,25,26,30);1,3-6,13-14H,2,7-12H2,(H2,23,29)(H,26,27)(H2,24,25,30);1-12H,13H2,(H2,23,28)(H,26,27)(H2,24,25,29);1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26);4-10H,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyBGROJTLPFUZUCO-UHFFFAOYSA-N
XLogP20.94
TPSA687.51 Ų
H-Bond Donors22
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.68
LogP ≤ 520.94
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
CID 159317226
[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159448025
benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide
CID 160471179
3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 161084294

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide (CID 157343587) is 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide is CC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCCCC4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCOCC4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCc4ccc(F)cc4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCc4ccccc4)c3)c2c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)OCc4ccccc4)c3)c2c1.
What is the InChIKey of 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is BGROJTLPFUZUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2.C22H18FN5O2.C22H26N6O3.C22H19N5O2.C22H18N4O3.C20H22N4O3/c24-22(30)17-8-9-20-19(15-17)21(28-27-20)16-6-4-7-18(14-16)26-23(31)25-10-5-13-29-11-2-1-3-12-29;23-16-7-4-13(5-8-16)12-25-22(30)26-17-3-1-2-14(10-17)20-18-11-15(21(24)29)6-9-19(18)27-28-20;23-21(29)16-5-6-19-18(14-16)20(27-26-19)15-3-1-4-17(13-15)25-22(30)24-7-2-8-28-9-11-31-12-10-28;23-21(28)16-9-10-19-18(12-16)20(27-26-19)15-7-4-8-17(11-15)25-22(29)24-13-14-5-2-1-3-6-14;23-21(27)16-9-10-19-18(12-16)20(26-25-19)15-7-4-8-17(11-15)24-22(28)29-13-14-5-2-1-3-6-14;1-20(2,3)11-27-19(26)22-14-6-4-5-12(9-14)17-15-10-13(18(21)25)7-8-16(15)23-24-17/h4,6-9,14-15H,1-3,5,10-13H2,(H2,24,30)(H,27,28)(H2,25,26,31);1-11H,12H2,(H2,24,29)(H,27,28)(H2,25,26,30);1,3-6,13-14H,2,7-12H2,(H2,23,29)(H,26,27)(H2,24,25,30);1-12H,13H2,(H2,23,28)(H,26,27)(H2,24,25,29);1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26);4-10H,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24).
What are the key properties of 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 2384.68 g/mol, XLogP of 20.94, 33 rotatable bonds, 22 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 157343587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).