5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C108H98F5N31S3 — CID 157215665

About 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157215665) has the molecular formula C108H98F5N31S3 and a molecular weight of 2021.38 g/mol. Its IUPAC name is 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 157215665
• Molecular Formula: C108H98F5N31S3
• Molecular Weight: 2021.38 g/mol
• Exact Mass: 2019.77
• IUPAC Name: 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cc(-c2n[nH]c3ccc(-n4cc([C@@H]5CCCN(Cc6c(C)c(F)c(F)c(F)c6F)C5)nn4)cc23)ccn1.Cc1nc2ccc(-c3n[nH]c4ccc(-n5cc([C@@H]6CCCN(Cc7cccs7)C6)nn5)cc34)cc2s1.Fc1ccccc1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccnc6[nH]ccc56)c4c3)nn2)C1.c1csc(CN2CCC[C@@H](c3cn(-c4ccc5[nH]nc(-c6ccc7ncnn7c6)c5c4)nn3)C2)c1
• InChI: InChI=1S/C28H25F4N7.C28H25FN8.C27H25N7S2.C25H23N9S/c1-15-10-17(7-8-33-15)28-20-11-19(5-6-22(20)34-36-28)39-14-23(35-37-39)18-4-3-9-38(12-18)13-21-16(2)24(29)26(31)27(32)25(21)30;29-24-6-2-1-4-18(24)15-36-13-3-5-19(16-36)26-17-37(35-33-26)20-7-8-25-23(14-20)27(34-32-25)21-9-11-30-28-22(21)10-12-31-28;1-17-28-24-8-6-18(12-26(24)36-17)27-22-13-20(7-9-23(22)29-31-27)34-16-25(30-32-34)19-4-2-10-33(14-19)15-21-5-3-11-35-21;1-3-17(12-32(9-1)14-20-4-2-10-35-20)23-15-33(31-29-23)19-6-7-22-21(11-19)25(30-28-22)18-5-8-24-26-16-27-34(24)13-18/h5-8,10-11,14,18H,3-4,9,12-13H2,1-2H3,(H,34,36);1-2,4,6-12,14,17,19H,3,5,13,15-16H2,(H,30,31)(H,32,34);3,5-9,11-13,16,19H,2,4,10,14-15H2,1H3,(H,29,31);2,4-8,10-11,13,15-17H,1,3,9,12,14H2,(H,28,30)/t18-;2*19-;17-/m1111/s1
• InChIKey: ASJRPUQZVBRRQU-WUOFZJNDSA-N
• XLogP: 21.43
• TPSA: 335.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.38
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 157215665) is 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2n[nH]c3ccc(-n4cc([C@@H]5CCCN(Cc6c(C)c(F)c(F)c(F)c6F)C5)nn4)cc23)ccn1.Cc1nc2ccc(-c3n[nH]c4ccc(-n5cc([C@@H]6CCCN(Cc7cccs7)C6)nn5)cc34)cc2s1.Fc1ccccc1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccnc6[nH]ccc56)c4c3)nn2)C1.c1csc(CN2CCC[C@@H](c3cn(-c4ccc5[nH]nc(-c6ccc7ncnn7c6)c5c4)nn3)C2)c1.

What is the InChIKey of 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ASJRPUQZVBRRQU-WUOFZJNDSA-N. The full InChI is InChI=1S/C28H25F4N7.C28H25FN8.C27H25N7S2.C25H23N9S/c1-15-10-17(7-8-33-15)28-20-11-19(5-6-22(20)34-36-28)39-14-23(35-37-39)18-4-3-9-38(12-18)13-21-16(2)24(29)26(31)27(32)25(21)30;29-24-6-2-1-4-18(24)15-36-13-3-5-19(16-36)26-17-37(35-33-26)20-7-8-25-23(14-20)27(34-32-25)21-9-11-30-28-22(21)10-12-31-28;1-17-28-24-8-6-18(12-26(24)36-17)27-22-13-20(7-9-23(22)29-31-27)34-16-25(30-32-34)19-4-2-10-33(14-19)15-21-5-3-11-35-21;1-3-17(12-32(9-1)14-20-4-2-10-35-20)23-15-33(31-29-23)19-6-7-22-21(11-19)25(30-28-22)18-5-8-24-26-16-27-34(24)13-18/h5-8,10-11,14,18H,3-4,9,12-13H2,1-2H3,(H,34,36);1-2,4,6-12,14,17,19H,3,5,13,15-16H2,(H,30,31)(H,32,34);3,5-9,11-13,16,19H,2,4,10,14-15H2,1H3,(H,29,31);2,4-8,10-11,13,15-17H,1,3,9,12,14H2,(H,28,30)/t18-;2*19-;17-/m1111/s1.

What are the key properties of 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2021.38 g/mol, XLogP of 21.43, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole;3-(2-methyl-4-pyridinyl)-5-[4-[(3R)-1-[(2,3,4,5-tetrafluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazole;2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole;6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157215665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).