5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one

C105H111F2N21O14 — CID 159272209

About 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one

5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one (PubChem CID 159272209) has the molecular formula C105H111F2N21O14 and a molecular weight of 1929.17 g/mol. Its IUPAC name is 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

• Compound Name: 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
• PubChem CID: 159272209
• Molecular Formula: C105H111F2N21O14
• Molecular Weight: 1929.17 g/mol
• Exact Mass: 1927.86
• IUPAC Name: 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
• SMILES: Cc1c(C(F)CN2CCN(C(=O)C3CCc4cc(-n5cncn5)ccc43)CC2)ccc2c1COC2=O.Cc1c(C(F)CN2CCN(C(=O)Cc3ccc(-n4cncn4)cn3)CC2)ccc2c1COC2=O.Cc1c(C(O)CN2CCN(C(=O)C3CCc4cc(-n5cncn5)ccc43)CC2)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCN(C(=O)C3CCc4cc(-n5cncn5)ccc43)CC2)ccc2c1COC2=O
• InChI: InChI=1S/C27H28FN5O3.2C27H29N5O4.C24H25FN6O3/c1-17-20(6-7-23-24(17)14-36-27(23)35)25(28)13-31-8-10-32(11-9-31)26(34)22-4-2-18-12-19(3-5-21(18)22)33-16-29-15-30-33;2*1-17-20(6-7-23-24(17)14-36-27(23)35)25(33)13-30-8-10-31(11-9-30)26(34)22-4-2-18-12-19(3-5-21(18)22)32-16-28-15-29-32;1-16-19(4-5-20-21(16)13-34-24(20)33)22(25)12-29-6-8-30(9-7-29)23(32)10-17-2-3-18(11-27-17)31-15-26-14-28-31/h3,5-7,12,15-16,22,25H,2,4,8-11,13-14H2,1H3;2*3,5-7,12,15-16,22,25,33H,2,4,8-11,13-14H2,1H3;2-5,11,14-15,22H,6-10,12-13H2,1H3/t;22?,25-;;/m.0../s1
• InChIKey: KXVWITHILVXFEI-ZSVLAUDMSA-N
• XLogP: 9.48
• TPSA: 375.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.17
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?

The IUPAC name of 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one (CID 159272209) is 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one.

What is the SMILES notation for 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?

The canonical SMILES for 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one is Cc1c(C(F)CN2CCN(C(=O)C3CCc4cc(-n5cncn5)ccc43)CC2)ccc2c1COC2=O.Cc1c(C(F)CN2CCN(C(=O)Cc3ccc(-n4cncn4)cn3)CC2)ccc2c1COC2=O.Cc1c(C(O)CN2CCN(C(=O)C3CCc4cc(-n5cncn5)ccc43)CC2)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCN(C(=O)C3CCc4cc(-n5cncn5)ccc43)CC2)ccc2c1COC2=O.

What is the InChIKey of 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?

The InChIKey is KXVWITHILVXFEI-ZSVLAUDMSA-N. The full InChI is InChI=1S/C27H28FN5O3.2C27H29N5O4.C24H25FN6O3/c1-17-20(6-7-23-24(17)14-36-27(23)35)25(28)13-31-8-10-32(11-9-31)26(34)22-4-2-18-12-19(3-5-21(18)22)33-16-29-15-30-33;2*1-17-20(6-7-23-24(17)14-36-27(23)35)25(33)13-30-8-10-31(11-9-30)26(34)22-4-2-18-12-19(3-5-21(18)22)32-16-28-15-29-32;1-16-19(4-5-20-21(16)13-34-24(20)33)22(25)12-29-6-8-30(9-7-29)23(32)10-17-2-3-18(11-27-17)31-15-26-14-28-31/h3,5-7,12,15-16,22,25H,2,4,8-11,13-14H2,1H3;2*3,5-7,12,15-16,22,25,33H,2,4,8-11,13-14H2,1H3;2-5,11,14-15,22H,6-10,12-13H2,1H3/t;22?,25-;;/m.0../s1.

What are the key properties of 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?

5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 1929.17 g/mol, XLogP of 9.48, 21 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-fluoro-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-fluoro-2-[4-[2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[1-hydroxy-2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 159272209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).