5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide

C77H62F6N20O2 — CID 162165623

IUPAC5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
SMILESC=C(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(F)(F)F)n4)cc23)cc1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CCC5CC5)n4)cc23)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Nc4ccccc4)c3)c2c1
InChIInChI=1S/C21H17N5O2.C20H18FN5.C19H16FN5.C17H11F4N5/c22-20(27)14-9-10-18-17(12-14)19(26-25-18)13-5-4-8-16(11-13)24-21(28)23-15-6-2-1-3-7-15;21-15-7-4-13(5-8-15)19-16-11-14(6-9-17(16)23-25-19)20-22-18(24-26-20)10-3-12-1-2-12;1-11(2)9-17-21-19(25-23-17)13-5-8-16-15(10-13)18(24-22-16)12-3-6-14(20)7-4-12;18-11-4-1-9(2-5-11)15-12-7-10(3-6-13(12)23-25-15)16-22-14(24-26-16)8-17(19,20)21/h1-12H,(H2,22,27)(H,25,26)(H2,23,24,28);4-9,11-12H,1-3,10H2,(H,23,25)(H,22,24,26);3-8,10H,1,9H2,2H3,(H,22,24)(H,21,23,25);1-7H,8H2,(H,23,25)(H,22,24,26)
InChIKeyZNBWXVSMYZPXSZ-UHFFFAOYSA-N
MW1413.47 g/mol
LogP17.00
Rot. Bonds16

About 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide

5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide (PubChem CID 162165623) has the molecular formula C77H62F6N20O2 and a molecular weight of 1413.47 g/mol. Its IUPAC name is 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
PubChem CID162165623
Molecular FormulaC77H62F6N20O2
Molecular Weight1413.47 g/mol
Exact Mass1412.53
IUPAC Name5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
SMILESC=C(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(F)(F)F)n4)cc23)cc1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CCC5CC5)n4)cc23)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Nc4ccccc4)c3)c2c1
InChIInChI=1S/C21H17N5O2.C20H18FN5.C19H16FN5.C17H11F4N5/c22-20(27)14-9-10-18-17(12-14)19(26-25-18)13-5-4-8-16(11-13)24-21(28)23-15-6-2-1-3-7-15;21-15-7-4-13(5-8-15)19-16-11-14(6-9-17(16)23-25-19)20-22-18(24-26-20)10-3-12-1-2-12;1-11(2)9-17-21-19(25-23-17)13-5-8-16-15(10-13)18(24-22-16)12-3-6-14(20)7-4-12;18-11-4-1-9(2-5-11)15-12-7-10(3-6-13(12)23-25-15)16-22-14(24-26-16)8-17(19,20)21/h1-12H,(H2,22,27)(H,25,26)(H2,23,24,28);4-9,11-12H,1-3,10H2,(H,23,25)(H,22,24,26);3-8,10H,1,9H2,2H3,(H,22,24)(H,21,23,25);1-7H,8H2,(H,23,25)(H,22,24,26)
InChIKeyZNBWXVSMYZPXSZ-UHFFFAOYSA-N
XLogP17.00
TPSA323.65 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001413.47
LogP ≤ 517.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide (CID 162165623) is 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide is C=C(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(F)(F)F)n4)cc23)cc1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CCC5CC5)n4)cc23)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Nc4ccccc4)c3)c2c1.
What is the InChIKey of 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is ZNBWXVSMYZPXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2.C20H18FN5.C19H16FN5.C17H11F4N5/c22-20(27)14-9-10-18-17(12-14)19(26-25-18)13-5-4-8-16(11-13)24-21(28)23-15-6-2-1-3-7-15;21-15-7-4-13(5-8-15)19-16-11-14(6-9-17(16)23-25-19)20-22-18(24-26-20)10-3-12-1-2-12;1-11(2)9-17-21-19(25-23-17)13-5-8-16-15(10-13)18(24-22-16)12-3-6-14(20)7-4-12;18-11-4-1-9(2-5-11)15-12-7-10(3-6-13(12)23-25-15)16-22-14(24-26-16)8-17(19,20)21/h1-12H,(H2,22,27)(H,25,26)(H2,23,24,28);4-9,11-12H,1-3,10H2,(H,23,25)(H,22,24,26);3-8,10H,1,9H2,2H3,(H,22,24)(H,21,23,25);1-7H,8H2,(H,23,25)(H,22,24,26).
What are the key properties of 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide?
5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 1413.47 g/mol, XLogP of 17.00, 16 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 162165623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).