2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one

C99H113FN18O6 — CID 159035609

About 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one

2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one (PubChem CID 159035609) has the molecular formula C99H113FN18O6 and a molecular weight of 1670.11 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one
• PubChem CID: 159035609
• Molecular Formula: C99H113FN18O6
• Molecular Weight: 1670.11 g/mol
• Exact Mass: 1668.91
• IUPAC Name: 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one
• SMILES: O=C(CCC1=CC=NC1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccccn1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccc(F)cc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccccc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1
• InChI: InChI=1S/C25H27FN4O2.C25H29N5O.C25H28N4O2.C24H29N5O/c26-22-2-4-23(5-3-22)32-17-25(31)29-10-7-18(8-11-29)16-30-12-9-20-13-19(1-6-24(20)30)21-14-27-28-15-21;31-25(7-5-23-3-1-2-11-26-23)29-12-8-19(9-13-29)18-30-14-10-21-15-20(4-6-24(21)30)22-16-27-28-17-22;30-25(18-31-23-4-2-1-3-5-23)28-11-8-19(9-12-28)17-29-13-10-21-14-20(6-7-24(21)29)22-15-26-27-16-22;30-24(4-1-18-5-9-25-14-18)28-10-6-19(7-11-28)17-29-12-8-21-13-20(2-3-23(21)29)22-15-26-27-16-22/h1-6,13-15,18H,7-12,16-17H2,(H,27,28);1-4,6,11,15-17,19H,5,7-10,12-14,18H2,(H,27,28);1-7,14-16,19H,8-13,17-18H2,(H,26,27);2-3,5,9,13,15-16,19H,1,4,6-8,10-12,14,17H2,(H,26,27)
• InChIKey: JVKPOZKXMIDWNQ-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 252.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.11
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one?

The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one (CID 159035609) is 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one.

What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one?

The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one is O=C(CCC1=CC=NC1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccccn1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccc(F)cc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccccc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.

What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one?

The InChIKey is JVKPOZKXMIDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2.C25H29N5O.C25H28N4O2.C24H29N5O/c26-22-2-4-23(5-3-22)32-17-25(31)29-10-7-18(8-11-29)16-30-12-9-20-13-19(1-6-24(20)30)21-14-27-28-15-21;31-25(7-5-23-3-1-2-11-26-23)29-12-8-19(9-13-29)18-30-14-10-21-15-20(4-6-24(21)30)22-16-27-28-17-22;30-25(18-31-23-4-2-1-3-5-23)28-11-8-19(9-12-28)17-29-13-10-21-14-20(6-7-24(21)29)22-15-26-27-16-22;30-24(4-1-18-5-9-25-14-18)28-10-6-19(7-11-28)17-29-12-8-21-13-20(2-3-23(21)29)22-15-26-27-16-22/h1-6,13-15,18H,7-12,16-17H2,(H,27,28);1-4,6,11,15-17,19H,5,7-10,12-14,18H2,(H,27,28);1-7,14-16,19H,8-13,17-18H2,(H,26,27);2-3,5,9,13,15-16,19H,1,4,6-8,10-12,14,17H2,(H,26,27).

What are the key properties of 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one?

2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one has a molecular weight of 1670.11 g/mol, XLogP of 14.83, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]ethanone;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]-3-(2H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 159035609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).