1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone

C144H145ClF4N16O9 — CID 159003032

About 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone

1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 159003032) has the molecular formula C144H145ClF4N16O9 and a molecular weight of 2355.29 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 Name: 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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: 159003032
• Molecular Formula: C144H145ClF4N16O9
• Molecular Weight: 2355.29 g/mol
• Exact Mass: 2353.10
• IUPAC Name: 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone
• SMILES: CC(C)Oc1ccc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)cc1.CC(C)Oc1ccc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)cn1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
• InChI: InChI=1S/C31H33FN2O2.C30H32FN3O2.C29H28FN3O2.C28H28N4O2.C26H24ClFN4O/c1-21(2)36-27-13-11-23(12-14-27)31-28-17-24(9-10-25(28)18-33-31)30(35)16-22-6-5-15-34(19-22)20-26-7-3-4-8-29(26)32;1-20(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;30-25-6-2-1-5-23(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;33-26(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;27-25-14-19(9-10-29-25)26-21-13-18(7-8-23(21)30-31-26)24(33)12-17-4-3-11-32(15-17)16-20-5-1-2-6-22(20)28/h3-4,7-14,17,21-22H,5-6,15-16,18-20H2,1-2H3;3-4,7-12,15,17,20-21H,5-6,13-14,16,18-19H2,1-2H3;1-2,5-10,15-16,19H,3-4,11-14,17-18H2,(H,31,32);1-2,5-9,11,15-16,19H,3-4,10,12-14,17-18H2,(H,30,31);1-2,5-10,13-14,17H,3-4,11-12,15-16H2,(H,30,31)/t22-;21-;2*19-;17-/m00000/s1
• InChIKey: JROMXQNGPWVAPB-AKAFLOANSA-N
• XLogP: 29.03
• TPSA: 287.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.29
LogP ≤ 5	29.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 159003032) is 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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)cc1.CC(C)Oc1ccc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)cn1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1.O=C(C[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.

What is the InChIKey of 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 JROMXQNGPWVAPB-AKAFLOANSA-N. The full InChI is InChI=1S/C31H33FN2O2.C30H32FN3O2.C29H28FN3O2.C28H28N4O2.C26H24ClFN4O/c1-21(2)36-27-13-11-23(12-14-27)31-28-17-24(9-10-25(28)18-33-31)30(35)16-22-6-5-15-34(19-22)20-26-7-3-4-8-29(26)32;1-20(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;30-25-6-2-1-5-23(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;33-26(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;27-25-14-19(9-10-29-25)26-21-13-18(7-8-23(21)30-31-26)24(33)12-17-4-3-11-32(15-17)16-20-5-1-2-6-22(20)28/h3-4,7-14,17,21-22H,5-6,15-16,18-20H2,1-2H3;3-4,7-12,15,17,20-21H,5-6,13-14,16,18-19H2,1-2H3;1-2,5-10,15-16,19H,3-4,11-14,17-18H2,(H,31,32);1-2,5-9,11,15-16,19H,3-4,10,12-14,17-18H2,(H,30,31);1-2,5-10,13-14,17H,3-4,11-12,15-16H2,(H,30,31)/t22-;21-;2*19-;17-/m00000/s1.

What are the key properties of 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]ethanone?

1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 2355.29 g/mol, XLogP of 29.03, 34 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-chloro-4-pyridinyl)-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-[(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;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(4-propan-2-yloxyphenyl)-1H-isoindol-5-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 159003032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).