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

C89H83FN20O9 — CID 159317226

IUPAC3-[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
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCCCC4)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.C22H19N5O2.C22H18N4O3/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(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/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);1-12H,13H2,(H2,23,28)(H,26,27)(H2,24,25,29);1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyLDHGSCZNTVSABD-UHFFFAOYSA-N
MW1595.77 g/mol
LogP14.84
Rot. Bonds22

About 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

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 (PubChem CID 159317226) has the molecular formula C89H83FN20O9 and a molecular weight of 1595.77 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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
PubChem CID159317226
Molecular FormulaC89H83FN20O9
Molecular Weight1595.77 g/mol
Exact Mass1594.66
IUPAC Name3-[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
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCCCC4)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.C22H19N5O2.C22H18N4O3/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(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/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);1-12H,13H2,(H2,23,28)(H,26,27)(H2,24,25,29);1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyLDHGSCZNTVSABD-UHFFFAOYSA-N
XLogP14.84
TPSA452.04 Ų
H-Bond Donors15
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.77
LogP ≤ 514.84
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1014

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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide with MolForge

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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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide (CID 159317226) is 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.
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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCCCC4)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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is LDHGSCZNTVSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2.C22H18FN5O2.C22H19N5O2.C22H18N4O3/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(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/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);1-12H,13H2,(H2,23,28)(H,26,27)(H2,24,25,29);1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26).
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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 1595.77 g/mol, XLogP of 14.84, 22 rotatable bonds, 15 hydrogen bond donors, and 14 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;3-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;3-[3-(3-piperidin-1-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 159317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).