N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide

C111H88F2N30O8 — CID 159540583

IUPACN-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(NCCC1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(NCCOc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccco1.O=C(Nc1ccc(F)cc1)c1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.O=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H20N6O2.C23H24N6O2.2C22H15FN6O.C20H14N6O2/c31-24(25-11-12-32-19-7-2-1-3-8-19)18-6-4-5-16(13-18)22-20-14-17(23-26-15-27-30-23)9-10-21(20)28-29-22;30-23(24-9-6-15-7-10-31-11-8-15)18-3-1-2-16(12-18)21-19-13-17(22-25-14-26-29-22)4-5-20(19)27-28-21;23-16-6-8-17(9-7-16)26-22(30)14-3-1-13(2-4-14)20-18-11-15(21-24-12-25-29-21)5-10-19(18)27-28-20;23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20;27-20(17-2-1-9-28-17)23-14-6-3-12(4-7-14)18-15-10-13(19-21-11-22-26-19)5-8-16(15)24-25-18/h1-10,13-15H,11-12H2,(H,25,31)(H,28,29)(H,26,27,30);1-5,12-15H,6-11H2,(H,24,30)(H,27,28)(H,25,26,29);2*1-12H,(H,26,30)(H,27,28)(H,24,25,29);1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyMEDNXMRUMCNVLT-UHFFFAOYSA-N
MW2008.12 g/mol
LogP20.06
Rot. Bonds25

About N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide

N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 159540583) has the molecular formula C111H88F2N30O8 and a molecular weight of 2008.12 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID159540583
Molecular FormulaC111H88F2N30O8
Molecular Weight2008.12 g/mol
Exact Mass2006.74
IUPAC NameN-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(NCCC1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(NCCOc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccco1.O=C(Nc1ccc(F)cc1)c1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.O=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H20N6O2.C23H24N6O2.2C22H15FN6O.C20H14N6O2/c31-24(25-11-12-32-19-7-2-1-3-8-19)18-6-4-5-16(13-18)22-20-14-17(23-26-15-27-30-23)9-10-21(20)28-29-22;30-23(24-9-6-15-7-10-31-11-8-15)18-3-1-2-16(12-18)21-19-13-17(22-25-14-26-29-22)4-5-20(19)27-28-21;23-16-6-8-17(9-7-16)26-22(30)14-3-1-13(2-4-14)20-18-11-15(21-24-12-25-29-21)5-10-19(18)27-28-20;23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20;27-20(17-2-1-9-28-17)23-14-6-3-12(4-7-14)18-15-10-13(19-21-11-22-26-19)5-8-16(15)24-25-18/h1-10,13-15H,11-12H2,(H,25,31)(H,28,29)(H,26,27,30);1-5,12-15H,6-11H2,(H,24,30)(H,27,28)(H,25,26,29);2*1-12H,(H,26,30)(H,27,28)(H,24,25,29);1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyMEDNXMRUMCNVLT-UHFFFAOYSA-N
XLogP20.06
TPSA528.35 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002008.12
LogP ≤ 520.06
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (CID 159540583) is N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide is O=C(NCCC1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(NCCOc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccco1.O=C(Nc1ccc(F)cc1)c1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.O=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is MEDNXMRUMCNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2.C23H24N6O2.2C22H15FN6O.C20H14N6O2/c31-24(25-11-12-32-19-7-2-1-3-8-19)18-6-4-5-16(13-18)22-20-14-17(23-26-15-27-30-23)9-10-21(20)28-29-22;30-23(24-9-6-15-7-10-31-11-8-15)18-3-1-2-16(12-18)21-19-13-17(22-25-14-26-29-22)4-5-20(19)27-28-21;23-16-6-8-17(9-7-16)26-22(30)14-3-1-13(2-4-14)20-18-11-15(21-24-12-25-29-21)5-10-19(18)27-28-20;23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20;27-20(17-2-1-9-28-17)23-14-6-3-12(4-7-14)18-15-10-13(19-21-11-22-26-19)5-8-16(15)24-25-18/h1-10,13-15H,11-12H2,(H,25,31)(H,28,29)(H,26,27,30);1-5,12-15H,6-11H2,(H,24,30)(H,27,28)(H,25,26,29);2*1-12H,(H,26,30)(H,27,28)(H,24,25,29);1-11H,(H,23,27)(H,24,25)(H,21,22,26).
What are the key properties of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 2008.12 g/mol, XLogP of 20.06, 25 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 159540583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).