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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone

C143H139F2N15O9S — CID 159929630

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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone (PubChem CID 159929630) has the molecular formula C143H139F2N15O9S and a molecular weight of 2281.84 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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone.

Molecular Properties

• Compound Name: 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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
• PubChem CID: 159929630
• Molecular Formula: C143H139F2N15O9S
• Molecular Weight: 2281.84 g/mol
• Exact Mass: 2280.06
• IUPAC Name: 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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
• SMILES: O=C(CC1CNCC(c2ccccc2)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccc3c(c2)C=CC3)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(Cc2nccs2)C1)c1ccc2c(c1)C(c1ccc3c(c1)CCO3)=NC2
• InChI: InChI=1S/C32H31N3O2.C29H27F2N3O2.C29H29N3O2.C27H27N3O2S.C26H25N3O/c36-30(16-21-3-2-13-35(19-21)20-22-6-7-23-4-1-5-24(23)15-22)25-8-10-29-28(18-25)32(34-33-29)27-9-11-31-26(17-27)12-14-37-31;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;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;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;30-25(13-18-12-23(16-28-15-18)19-4-2-1-3-5-19)21-6-7-22-17-29-26(24(22)14-21)20-8-10-27-11-9-20/h1,5-11,15,17-18,21H,2-4,12-14,16,19-20H2,(H,33,34);1,4-9,14-15,18H,2-3,10-13,16-17H2,(H,32,33);1-3,5-6,8-11,16-17,21H,4,7,12-15,18-19H2,(H,30,31);3-6,8,11,13-14,18H,1-2,7,9-10,12,15-17H2;1-11,14,18,23,28H,12-13,15-17H2/t21-;18-;21-;18-;/m0000./s1
• InChIKey: NZLWQKPEEWUYOG-BHYDZZQISA-N
• XLogP: 27.11
• TPSA: 283.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2281.84
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone (CID 159929630) 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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone is O=C(CC1CNCC(c2ccccc2)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccc3c(c2)C=CC3)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(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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone?

The InChIKey is NZLWQKPEEWUYOG-BHYDZZQISA-N. The full InChI is InChI=1S/C32H31N3O2.C29H27F2N3O2.C29H29N3O2.C27H27N3O2S.C26H25N3O/c36-30(16-21-3-2-13-35(19-21)20-22-6-7-23-4-1-5-24(23)15-22)25-8-10-29-28(18-25)32(34-33-29)27-9-11-31-26(17-27)12-14-37-31;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;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;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;30-25(13-18-12-23(16-28-15-18)19-4-2-1-3-5-19)21-6-7-22-17-29-26(24(22)14-21)20-8-10-27-11-9-20/h1,5-11,15,17-18,21H,2-4,12-14,16,19-20H2,(H,33,34);1,4-9,14-15,18H,2-3,10-13,16-17H2,(H,32,33);1-3,5-6,8-11,16-17,21H,4,7,12-15,18-19H2,(H,30,31);3-6,8,11,13-14,18H,1-2,7,9-10,12,15-17H2;1-11,14,18,23,28H,12-13,15-17H2/t21-;18-;21-;18-;/m0000./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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone has a molecular weight of 2281.84 g/mol, XLogP of 27.11, 29 rotatable bonds, 4 hydrogen bond donors, and 22 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-(1H-inden-5-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-(5-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone is sourced from PubChem (CID 159929630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).