5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole

C108H100F8N28O3 — CID 158898437

IUPAC5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)CC(F)(F)C1.COc1cccc(F)c1CN1CCCC(c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1.Cc1cccc(F)c1CN1CC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)CC(F)(F)C1
InChIInChI=1S/C27H24F3N7O.C27H24F3N7.2C27H26FN7O/c1-38-25-4-2-3-22(28)21(25)14-36-13-19(12-27(29,30)16-36)37-15-24(33-35-37)18-5-6-23-20(11-18)26(34-32-23)17-7-9-31-10-8-17;1-17-3-2-4-23(28)22(17)14-36-13-20(12-27(29,30)16-36)37-15-25(33-35-37)19-5-6-24-21(11-19)26(34-32-24)18-7-9-31-10-8-18;2*1-36-24-6-2-5-22(28)21(24)16-35-13-3-4-19(15-35)27-30-26(33-34-27)18-7-8-23-20(14-18)25(32-31-23)17-9-11-29-12-10-17/h2-11,15,19H,12-14,16H2,1H3,(H,32,34);2-11,15,20H,12-14,16H2,1H3,(H,32,34);2*2,5-12,14,19H,3-4,13,15-16H2,1H3,(H,31,32)(H,30,33,34)/t;;19-;/m..1./s1
InChIKeyJFCWZTHYQSLQCL-URIYZQFDSA-N
MW1990.16 g/mol
LogP20.40
Rot. Bonds23

About 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole

5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 158898437) has the molecular formula C108H100F8N28O3 and a molecular weight of 1990.16 g/mol. Its IUPAC name is 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
PubChem CID158898437
Molecular FormulaC108H100F8N28O3
Molecular Weight1990.16 g/mol
Exact Mass1988.84
IUPAC Name5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)CC(F)(F)C1.COc1cccc(F)c1CN1CCCC(c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1.Cc1cccc(F)c1CN1CC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)CC(F)(F)C1
InChIInChI=1S/C27H24F3N7O.C27H24F3N7.2C27H26FN7O/c1-38-25-4-2-3-22(28)21(25)14-36-13-19(12-27(29,30)16-36)37-15-24(33-35-37)18-5-6-23-20(11-18)26(34-32-23)17-7-9-31-10-8-17;1-17-3-2-4-23(28)22(17)14-36-13-20(12-27(29,30)16-36)37-15-25(33-35-37)19-5-6-24-21(11-19)26(34-32-24)18-7-9-31-10-8-18;2*1-36-24-6-2-5-22(28)21(24)16-35-13-3-4-19(15-35)27-30-26(33-34-27)18-7-8-23-20(14-18)25(32-31-23)17-9-11-29-12-10-17/h2-11,15,19H,12-14,16H2,1H3,(H,32,34);2-11,15,20H,12-14,16H2,1H3,(H,32,34);2*2,5-12,14,19H,3-4,13,15-16H2,1H3,(H,31,32)(H,30,33,34)/t;;19-;/m..1./s1
InChIKeyJFCWZTHYQSLQCL-URIYZQFDSA-N
XLogP20.40
TPSA351.49 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.16
LogP ≤ 520.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole (CID 158898437) is 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole is COc1cccc(F)c1CN1CC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)CC(F)(F)C1.COc1cccc(F)c1CN1CCCC(c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1.Cc1cccc(F)c1CN1CC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)CC(F)(F)C1.
What is the InChIKey of 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?
The InChIKey is JFCWZTHYQSLQCL-URIYZQFDSA-N. The full InChI is InChI=1S/C27H24F3N7O.C27H24F3N7.2C27H26FN7O/c1-38-25-4-2-3-22(28)21(25)14-36-13-19(12-27(29,30)16-36)37-15-24(33-35-37)18-5-6-23-20(11-18)26(34-32-23)17-7-9-31-10-8-17;1-17-3-2-4-23(28)22(17)14-36-13-20(12-27(29,30)16-36)37-15-25(33-35-37)19-5-6-24-21(11-19)26(34-32-24)18-7-9-31-10-8-18;2*1-36-24-6-2-5-22(28)21(24)16-35-13-3-4-19(15-35)27-30-26(33-34-27)18-7-8-23-20(14-18)25(32-31-23)17-9-11-29-12-10-17/h2-11,15,19H,12-14,16H2,1H3,(H,32,34);2-11,15,20H,12-14,16H2,1H3,(H,32,34);2*2,5-12,14,19H,3-4,13,15-16H2,1H3,(H,31,32)(H,30,33,34)/t;;19-;/m..1./s1.
What are the key properties of 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?
5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 1990.16 g/mol, XLogP of 20.40, 23 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 158898437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).