2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone

C172H171F4N19O12S — CID 158418199

IUPAC2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCC(C)Oc1ccc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)cn1.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2c(c1)C(c1ccc3c(c1)CCO3)=NC2
InChIInChI=1S/C30H32FN3O2.C29H27F2N3O2.C29H28FN3O2.C29H29N3O2.C28H28N4O2.C27H27N3O2S/c1-20(2)36-29-12-11-24(17-32-29)30-26-15-22(9-10-23(26)16-33-30)28(35)14-21-6-5-13-34(18-21)19-25-7-3-4-8-27(25)31;30-24-4-1-5-25(31)23(24)17-34-11-2-3-18(16-34)13-27(35)19-6-8-26-22(15-19)29(33-32-26)21-7-9-28-20(14-21)10-12-36-28;30-25-6-2-1-5-23(25)18-33-12-3-4-19(17-33)14-27(34)20-7-9-26-24(16-20)29(32-31-26)22-8-10-28-21(15-22)11-13-35-28;33-27(15-21-7-4-13-32(19-21)18-20-5-2-1-3-6-20)22-8-10-26-25(17-22)29(31-30-26)24-9-11-28-23(16-24)12-14-34-28;33-26(14-19-4-3-12-32(17-19)18-23-5-1-2-11-29-23)20-6-8-25-24(16-20)28(31-30-25)22-7-9-27-21(15-22)10-13-34-27;31-24(12-18-2-1-9-30(16-18)17-26-28-8-11-33-26)19-3-4-22-15-29-27(23(22)14-19)21-5-6-25-20(13-21)7-10-32-25/h3-4,7-12,15,17,20-21H,5-6,13-14,16,18-19H2,1-2H3;1,4-9,14-15,18H,2-3,10-13,16-17H2,(H,32,33);1-2,5-10,15-16,19H,3-4,11-14,17-18H2,(H,31,32);1-3,5-6,8-11,16-17,21H,4,7,12-15,18-19H2,(H,30,31);1-2,5-9,11,15-16,19H,3-4,10,12-14,17-18H2,(H,30,31);3-6,8,11,13-14,18H,1-2,7,9-10,12,15-17H2/t21-;18-;19-;21-;19-;18-/m000000/s1
InChIKeyHADYBKHUVFCGPA-OZBKRJDRSA-N
MW2804.44 g/mol
LogP33.17
Rot. Bonds38

About 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone

2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone (PubChem CID 158418199) has the molecular formula C172H171F4N19O12S and a molecular weight of 2804.44 g/mol. Its IUPAC name is 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone.

Molecular Properties

Compound Name2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone
PubChem CID158418199
Molecular FormulaC172H171F4N19O12S
Molecular Weight2804.44 g/mol
Exact Mass2802.30
IUPAC Name2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCC(C)Oc1ccc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)cn1.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2c(c1)C(c1ccc3c(c1)CCO3)=NC2
InChIInChI=1S/C30H32FN3O2.C29H27F2N3O2.C29H28FN3O2.C29H29N3O2.C28H28N4O2.C27H27N3O2S/c1-20(2)36-29-12-11-24(17-32-29)30-26-15-22(9-10-23(26)16-33-30)28(35)14-21-6-5-13-34(18-21)19-25-7-3-4-8-27(25)31;30-24-4-1-5-25(31)23(24)17-34-11-2-3-18(16-34)13-27(35)19-6-8-26-22(15-19)29(33-32-26)21-7-9-28-20(14-21)10-12-36-28;30-25-6-2-1-5-23(25)18-33-12-3-4-19(17-33)14-27(34)20-7-9-26-24(16-20)29(32-31-26)22-8-10-28-21(15-22)11-13-35-28;33-27(15-21-7-4-13-32(19-21)18-20-5-2-1-3-6-20)22-8-10-26-25(17-22)29(31-30-26)24-9-11-28-23(16-24)12-14-34-28;33-26(14-19-4-3-12-32(17-19)18-23-5-1-2-11-29-23)20-6-8-25-24(16-20)28(31-30-25)22-7-9-27-21(15-22)10-13-34-27;31-24(12-18-2-1-9-30(16-18)17-26-28-8-11-33-26)19-3-4-22-15-29-27(23(22)14-19)21-5-6-25-20(13-21)7-10-32-25/h3-4,7-12,15,17,20-21H,5-6,13-14,16,18-19H2,1-2H3;1,4-9,14-15,18H,2-3,10-13,16-17H2,(H,32,33);1-2,5-10,15-16,19H,3-4,11-14,17-18H2,(H,31,32);1-3,5-6,8-11,16-17,21H,4,7,12-15,18-19H2,(H,30,31);1-2,5-9,11,15-16,19H,3-4,10,12-14,17-18H2,(H,30,31);3-6,8,11,13-14,18H,1-2,7,9-10,12,15-17H2/t21-;18-;19-;21-;19-;18-/m000000/s1
InChIKeyHADYBKHUVFCGPA-OZBKRJDRSA-N
XLogP33.17
TPSA355.35 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002804.44
LogP ≤ 533.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone?
The IUPAC name of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone (CID 158418199) is 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone.
What is the SMILES notation for 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone?
The canonical SMILES for 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone is CC(C)Oc1ccc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)cn1.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2c(c1)C(c1ccc3c(c1)CCO3)=NC2.
What is the InChIKey of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone?
The InChIKey is HADYBKHUVFCGPA-OZBKRJDRSA-N. The full InChI is InChI=1S/C30H32FN3O2.C29H27F2N3O2.C29H28FN3O2.C29H29N3O2.C28H28N4O2.C27H27N3O2S/c1-20(2)36-29-12-11-24(17-32-29)30-26-15-22(9-10-23(26)16-33-30)28(35)14-21-6-5-13-34(18-21)19-25-7-3-4-8-27(25)31;30-24-4-1-5-25(31)23(24)17-34-11-2-3-18(16-34)13-27(35)19-6-8-26-22(15-19)29(33-32-26)21-7-9-28-20(14-21)10-12-36-28;30-25-6-2-1-5-23(25)18-33-12-3-4-19(17-33)14-27(34)20-7-9-26-24(16-20)29(32-31-26)22-8-10-28-21(15-22)11-13-35-28;33-27(15-21-7-4-13-32(19-21)18-20-5-2-1-3-6-20)22-8-10-26-25(17-22)29(31-30-26)24-9-11-28-23(16-24)12-14-34-28;33-26(14-19-4-3-12-32(17-19)18-23-5-1-2-11-29-23)20-6-8-25-24(16-20)28(31-30-25)22-7-9-27-21(15-22)10-13-34-27;31-24(12-18-2-1-9-30(16-18)17-26-28-8-11-33-26)19-3-4-22-15-29-27(23(22)14-19)21-5-6-25-20(13-21)7-10-32-25/h3-4,7-12,15,17,20-21H,5-6,13-14,16,18-19H2,1-2H3;1,4-9,14-15,18H,2-3,10-13,16-17H2,(H,32,33);1-2,5-10,15-16,19H,3-4,11-14,17-18H2,(H,31,32);1-3,5-6,8-11,16-17,21H,4,7,12-15,18-19H2,(H,30,31);1-2,5-9,11,15-16,19H,3-4,10,12-14,17-18H2,(H,30,31);3-6,8,11,13-14,18H,1-2,7,9-10,12,15-17H2/t21-;18-;19-;21-;19-;18-/m000000/s1.
What are the key properties of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone?
2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone has a molecular weight of 2804.44 g/mol, XLogP of 33.17, 38 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone is sourced from PubChem (CID 158418199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).