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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one

C77H70F4N22O2 — CID 162087870

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one (PubChem CID 162087870) has the molecular formula C77H70F4N22O2 and a molecular weight of 1411.55 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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one.

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one
• PubChem CID: 162087870
• Molecular Formula: C77H70F4N22O2
• Molecular Weight: 1411.55 g/mol
• Exact Mass: 1410.60
• 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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one
• SMILES: CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(=O)[nH]c4)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
• InChI: InChI=1S/C20H16F3N5.C20H18FN5.C19H18N6O.C18H18N6O/c21-20(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;1-26-17-7-5-13(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;1-10(2)7-15-20-18(24-22-15)11-3-5-14-13(8-11)17(23-21-14)12-4-6-16(25)19-9-12/h1-3,6-7,9-11H,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);4-7,9-11H,2-3,8H2,1H3,(H,22,24)(H,21,23,25);3-6,8-10H,7H2,1-2H3,(H,19,25)(H,21,23)(H,20,22,24)
• InChIKey: ZDFBXRBNUYMZJT-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 335.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1411.55
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one?

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one (CID 162087870) 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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one.

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one?

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one is CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(=O)[nH]c4)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.

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one?

The InChIKey is ZDFBXRBNUYMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5.C20H18FN5.C19H18N6O.C18H18N6O/c21-20(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;1-26-17-7-5-13(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;1-10(2)7-15-20-18(24-22-15)11-3-5-14-13(8-11)17(23-21-14)12-4-6-16(25)19-9-12/h1-3,6-7,9-11H,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);4-7,9-11H,2-3,8H2,1H3,(H,22,24)(H,21,23,25);3-6,8-10H,7H2,1-2H3,(H,19,25)(H,21,23)(H,20,22,24).

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one?

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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one has a molecular weight of 1411.55 g/mol, XLogP of 15.67, 17 rotatable bonds, 9 hydrogen bond donors, and 15 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;5-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 162087870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).