5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
C102H90F6N26O — CID 159859414
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cn1.Cc1cc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)ccc1F.FC(F)(F)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)c1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CCc5ccccc5)n4)cc23)cc1
InChIInChI=1S/C23H18FN5.C20H16F3N5.C20H18FN5.C20H20FN5.C19H18N6O/c24-18-10-7-16(8-11-18)22-19-14-17(9-12-20(19)26-28-22)23-25-21(27-29-23)13-6-15-4-2-1-3-5-15;21-20(22,23)14-3-1-2-12(9-14)18-15-10-13(6-7-16(15)25-27-18)19-24-17(26-28-19)8-11-4-5-11;1-11-8-13(4-6-16(11)21)19-15-10-14(5-7-17(15)23-25-19)20-22-18(24-26-20)9-12-2-3-12;1-12(2)3-10-18-22-20(26-24-18)14-6-9-17-16(11-14)19(25-23-17)13-4-7-15(21)8-5-13;1-26-17-7-5-13(10-20-17)18-14-9-12(4-6-15(14)22-24-18)19-21-16(23-25-19)8-11-2-3-11/h1-5,7-12,14H,6,13H2,(H,26,28)(H,25,27,29);1-3,6-7,9-11H,4-5,8H2,(H,25,27)(H,24,26,28);4-8,10,12H,2-3,9H2,1H3,(H,23,25)(H,22,24,26);4-9,11-12H,3,10H2,1-2H3,(H,23,25)(H,22,24,26);4-7,9-11H,2-3,8H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyNQYDFBMMBCRRMM-UHFFFAOYSA-N
MW1810.01 g/mol
LogP22.45
Rot. Bonds23
About 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 159859414) has the molecular formula C102H90F6N26O and a molecular weight of 1810.01 g/mol. Its IUPAC name is 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
Molecular Properties
| Compound Name | 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole |
|---|---|
| PubChem CID | 159859414 |
| Molecular Formula | C102H90F6N26O |
| Molecular Weight | 1810.01 g/mol |
| Exact Mass | 1808.77 |
| IUPAC Name | 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole |
| SMILES | CC(C)CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cn1.Cc1cc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)ccc1F.FC(F)(F)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)c1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CCc5ccccc5)n4)cc23)cc1 |
| InChI | InChI=1S/C23H18FN5.C20H16F3N5.C20H18FN5.C20H20FN5.C19H18N6O/c24-18-10-7-16(8-11-18)22-19-14-17(9-12-20(19)26-28-22)23-25-21(27-29-23)13-6-15-4-2-1-3-5-15;21-20(22,23)14-3-1-2-12(9-14)18-15-10-13(6-7-16(15)25-27-18)19-24-17(26-28-19)8-11-4-5-11;1-11-8-13(4-6-16(11)21)19-15-10-14(5-7-17(15)23-25-19)20-22-18(24-26-20)9-12-2-3-12;1-12(2)3-10-18-22-20(26-24-18)14-6-9-17-16(11-14)19(25-23-17)13-4-7-15(21)8-5-13;1-26-17-7-5-13(10-20-17)18-14-9-12(4-6-15(14)22-24-18)19-21-16(23-25-19)8-11-2-3-11/h1-5,7-12,14H,6,13H2,(H,26,28)(H,25,27,29);1-3,6-7,9-11H,4-5,8H2,(H,25,27)(H,24,26,28);4-8,10,12H,2-3,9H2,1H3,(H,23,25)(H,22,24,26);4-9,11-12H,3,10H2,1-2H3,(H,23,25)(H,22,24,26);4-7,9-11H,2-3,8H2,1H3,(H,22,24)(H,21,23,25) |
| InChIKey | NQYDFBMMBCRRMM-UHFFFAOYSA-N |
| XLogP | 22.45 |
| TPSA | 373.37 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 135 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1810.01 |
| LogP ≤ 5 | 22.45 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 159859414) is 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is CC(C)CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cn1.Cc1cc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)ccc1F.FC(F)(F)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)c1.Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CCc5ccccc5)n4)cc23)cc1.
What is the InChIKey of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is NQYDFBMMBCRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5.C20H16F3N5.C20H18FN5.C20H20FN5.C19H18N6O/c24-18-10-7-16(8-11-18)22-19-14-17(9-12-20(19)26-28-22)23-25-21(27-29-23)13-6-15-4-2-1-3-5-15;21-20(22,23)14-3-1-2-12(9-14)18-15-10-13(6-7-16(15)25-27-18)19-24-17(26-28-19)8-11-4-5-11;1-11-8-13(4-6-16(11)21)19-15-10-14(5-7-17(15)23-25-19)20-22-18(24-26-20)9-12-2-3-12;1-12(2)3-10-18-22-20(26-24-18)14-6-9-17-16(11-14)19(25-23-17)13-4-7-15(21)8-5-13;1-26-17-7-5-13(10-20-17)18-14-9-12(4-6-15(14)22-24-18)19-21-16(23-25-19)8-11-2-3-11/h1-5,7-12,14H,6,13H2,(H,26,28)(H,25,27,29);1-3,6-7,9-11H,4-5,8H2,(H,25,27)(H,24,26,28);4-8,10,12H,2-3,9H2,1H3,(H,23,25)(H,22,24,26);4-9,11-12H,3,10H2,1-2H3,(H,23,25)(H,22,24,26);4-7,9-11H,2-3,8H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 1810.01 g/mol, XLogP of 22.45, 23 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluoro-3-methylphenyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-3-pyridinyl)-1H-indazole;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 159859414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159859414 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.