2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole

C113H110F3N23O4S2 — CID 159914352

IUPAC2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6cccs6)C5)n4)cc23)cc1.CC(C)Sc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6c(F)cccc6F)C5)n4)cc23)cc1.Fc1ccccc1CN1CCCC(c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)C1.c1ccc(CN2CCCC(c3nnc(-c4ccc5[nH]nc(-c6ccc7c(c6)CCO7)c5c4)o3)C2)cc1
InChIInChI=1S/C30H30F2N6S.C29H27N5O2.C28H30N6OS.C26H23FN6O/c1-18(2)39-22-11-8-19(9-12-22)28-23-15-20(10-13-27(23)34-35-28)29-33-30(37-36-29)21-5-4-14-38(16-21)17-24-25(31)6-3-7-26(24)32;1-2-5-19(6-3-1)17-34-13-4-7-23(18-34)29-33-32-28(36-29)22-8-10-25-24(16-22)27(31-30-25)21-9-11-26-20(15-21)12-14-35-26;1-18(2)35-22-10-7-19(8-11-22)26-24-15-20(9-12-25(24)30-31-26)27-29-28(33-32-27)21-5-3-13-34(16-21)17-23-6-4-14-36-23;27-22-6-2-1-4-19(22)15-33-13-3-5-20(16-33)26-32-31-25(34-26)18-7-8-23-21(14-18)24(30-29-23)17-9-11-28-12-10-17/h3,6-13,15,18,21H,4-5,14,16-17H2,1-2H3,(H,34,35)(H,33,36,37);1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,30,31);4,6-12,14-15,18,21H,3,5,13,16-17H2,1-2H3,(H,30,31)(H,29,32,33);1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,29,30)/t21-;;21-;/m1.1./s1
InChIKeyNXOYDMGCYLUKEY-OAHJTNQUSA-N
MW1975.41 g/mol
LogP24.20
Rot. Bonds24

About 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole

2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 159914352) has the molecular formula C113H110F3N23O4S2 and a molecular weight of 1975.41 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID159914352
Molecular FormulaC113H110F3N23O4S2
Molecular Weight1975.41 g/mol
Exact Mass1973.85
IUPAC Name2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6cccs6)C5)n4)cc23)cc1.CC(C)Sc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6c(F)cccc6F)C5)n4)cc23)cc1.Fc1ccccc1CN1CCCC(c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)C1.c1ccc(CN2CCCC(c3nnc(-c4ccc5[nH]nc(-c6ccc7c(c6)CCO7)c5c4)o3)C2)cc1
InChIInChI=1S/C30H30F2N6S.C29H27N5O2.C28H30N6OS.C26H23FN6O/c1-18(2)39-22-11-8-19(9-12-22)28-23-15-20(10-13-27(23)34-35-28)29-33-30(37-36-29)21-5-4-14-38(16-21)17-24-25(31)6-3-7-26(24)32;1-2-5-19(6-3-1)17-34-13-4-7-23(18-34)29-33-32-28(36-29)22-8-10-25-24(16-22)27(31-30-25)21-9-11-26-20(15-21)12-14-35-26;1-18(2)35-22-10-7-19(8-11-22)26-24-15-20(9-12-25(24)30-31-26)27-29-28(33-32-27)21-5-3-13-34(16-21)17-23-6-4-14-36-23;27-22-6-2-1-4-19(22)15-33-13-3-5-20(16-33)26-32-31-25(34-26)18-7-8-23-21(14-18)24(30-29-23)17-9-11-28-12-10-17/h3,6-13,15,18,21H,4-5,14,16-17H2,1-2H3,(H,34,35)(H,33,36,37);1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,30,31);4,6-12,14-15,18,21H,3,5,13,16-17H2,1-2H3,(H,30,31)(H,29,32,33);1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,29,30)/t21-;;21-;/m1.1./s1
InChIKeyNXOYDMGCYLUKEY-OAHJTNQUSA-N
XLogP24.20
TPSA320.01 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001975.41
LogP ≤ 524.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 159914352) is 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole is CC(C)Oc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6cccs6)C5)n4)cc23)cc1.CC(C)Sc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6c(F)cccc6F)C5)n4)cc23)cc1.Fc1ccccc1CN1CCCC(c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)C1.c1ccc(CN2CCCC(c3nnc(-c4ccc5[nH]nc(-c6ccc7c(c6)CCO7)c5c4)o3)C2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is NXOYDMGCYLUKEY-OAHJTNQUSA-N. The full InChI is InChI=1S/C30H30F2N6S.C29H27N5O2.C28H30N6OS.C26H23FN6O/c1-18(2)39-22-11-8-19(9-12-22)28-23-15-20(10-13-27(23)34-35-28)29-33-30(37-36-29)21-5-4-14-38(16-21)17-24-25(31)6-3-7-26(24)32;1-2-5-19(6-3-1)17-34-13-4-7-23(18-34)29-33-32-28(36-29)22-8-10-25-24(16-22)27(31-30-25)21-9-11-26-20(15-21)12-14-35-26;1-18(2)35-22-10-7-19(8-11-22)26-24-15-20(9-12-25(24)30-31-26)27-29-28(33-32-27)21-5-3-13-34(16-21)17-23-6-4-14-36-23;27-22-6-2-1-4-19(22)15-33-13-3-5-20(16-33)26-32-31-25(34-26)18-7-8-23-21(14-18)24(30-29-23)17-9-11-28-12-10-17/h3,6-13,15,18,21H,4-5,14,16-17H2,1-2H3,(H,34,35)(H,33,36,37);1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,30,31);4,6-12,14-15,18,21H,3,5,13,16-17H2,1-2H3,(H,30,31)(H,29,32,33);1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,29,30)/t21-;;21-;/m1.1./s1.
What are the key properties of 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole?
2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 1975.41 g/mol, XLogP of 24.20, 24 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-3-yl)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfanylphenyl)-1H-indazole;2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;3-(4-propan-2-yloxyphenyl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 159914352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).