N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole

C87H86F2N22O2 — CID 158568439

IUPACN-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
SMILESCC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CC5)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CCCC5)n4)cc23)cc1
InChIInChI=1S/C24H26N6O.C23H24N6O.C21H20FN5.C19H16FN5/c1-14(2)11-21-26-23(30-28-21)16-9-10-20-19(13-16)22(29-27-20)15-5-3-6-17(12-15)24(31)25-18-7-4-8-18;1-13(2)10-20-25-22(29-27-20)15-6-9-19-18(12-15)21(28-26-19)14-4-3-5-16(11-14)23(30)24-17-7-8-17;22-16-8-5-14(6-9-16)20-17-12-15(7-10-18(17)24-26-20)21-23-19(25-27-21)11-13-3-1-2-4-13;20-14-6-3-12(4-7-14)18-15-10-13(5-8-16(15)22-24-18)19-21-17(23-25-19)9-11-1-2-11/h3,5-6,9-10,12-14,18H,4,7-8,11H2,1-2H3,(H,25,31)(H,27,29)(H,26,28,30);3-6,9,11-13,17H,7-8,10H2,1-2H3,(H,24,30)(H,26,28)(H,25,27,29);5-10,12-13H,1-4,11H2,(H,24,26)(H,23,25,27);3-8,10-11H,1-2,9H2,(H,22,24)(H,21,23,25)
InChIKeyHRTVJPCVDYYKNE-UHFFFAOYSA-N
MW1509.79 g/mol
LogP17.59
Rot. Bonds20

About N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole

N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole (PubChem CID 158568439) has the molecular formula C87H86F2N22O2 and a molecular weight of 1509.79 g/mol. Its IUPAC name is N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound NameN-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
PubChem CID158568439
Molecular FormulaC87H86F2N22O2
Molecular Weight1509.79 g/mol
Exact Mass1508.73
IUPAC NameN-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
SMILESCC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CC5)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CCCC5)n4)cc23)cc1
InChIInChI=1S/C24H26N6O.C23H24N6O.C21H20FN5.C19H16FN5/c1-14(2)11-21-26-23(30-28-21)16-9-10-20-19(13-16)22(29-27-20)15-5-3-6-17(12-15)24(31)25-18-7-4-8-18;1-13(2)10-20-25-22(29-27-20)15-6-9-19-18(12-15)21(28-26-19)14-4-3-5-16(11-14)23(30)24-17-7-8-17;22-16-8-5-14(6-9-16)20-17-12-15(7-10-18(17)24-26-20)21-23-19(25-27-21)11-13-3-1-2-4-13;20-14-6-3-12(4-7-14)18-15-10-13(5-8-16(15)22-24-18)19-21-17(23-25-19)9-11-1-2-11/h3,5-6,9-10,12-14,18H,4,7-8,11H2,1-2H3,(H,25,31)(H,27,29)(H,26,28,30);3-6,9,11-13,17H,7-8,10H2,1-2H3,(H,24,30)(H,26,28)(H,25,27,29);5-10,12-13H,1-4,11H2,(H,24,26)(H,23,25,27);3-8,10-11H,1-2,9H2,(H,22,24)(H,21,23,25)
InChIKeyHRTVJPCVDYYKNE-UHFFFAOYSA-N
XLogP17.59
TPSA339.20 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms113
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001509.79
LogP ≤ 517.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The IUPAC name of N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole (CID 158568439) is N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole is CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CC5)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CCCC5)n4)cc23)cc1.
What is the InChIKey of N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is HRTVJPCVDYYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.C23H24N6O.C21H20FN5.C19H16FN5/c1-14(2)11-21-26-23(30-28-21)16-9-10-20-19(13-16)22(29-27-20)15-5-3-6-17(12-15)24(31)25-18-7-4-8-18;1-13(2)10-20-25-22(29-27-20)15-6-9-19-18(12-15)21(28-26-19)14-4-3-5-16(11-14)23(30)24-17-7-8-17;22-16-8-5-14(6-9-16)20-17-12-15(7-10-18(17)24-26-20)21-23-19(25-27-21)11-13-3-1-2-4-13;20-14-6-3-12(4-7-14)18-15-10-13(5-8-16(15)22-24-18)19-21-17(23-25-19)9-11-1-2-11/h3,5-6,9-10,12-14,18H,4,7-8,11H2,1-2H3,(H,25,31)(H,27,29)(H,26,28,30);3-6,9,11-13,17H,7-8,10H2,1-2H3,(H,24,30)(H,26,28)(H,25,27,29);5-10,12-13H,1-4,11H2,(H,24,26)(H,23,25,27);3-8,10-11H,1-2,9H2,(H,22,24)(H,21,23,25).
What are the key properties of N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 1509.79 g/mol, XLogP of 17.59, 20 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 158568439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).