[7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C29H30F2N4O3 — CID 177170958

About [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

[7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 177170958) has the molecular formula C29H30F2N4O3 and a molecular weight of 520.58 g/mol. Its IUPAC name is [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
• PubChem CID: 177170958
• Molecular Formula: C29H30F2N4O3
• Molecular Weight: 520.58 g/mol
• Exact Mass: 520.23
• IUPAC Name: [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
• SMILES: COc1ccc(F)cc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4ncccc4OC)CC3)cc12
• InChI: InChI=1S/C29H30F2N4O3/c1-17(2)19-15-20(21-14-18(30)7-8-24(21)37-3)22-16-23(33-27(22)26(19)31)29(36)35-12-10-34(11-13-35)28-25(38-4)6-5-9-32-28/h5-9,14-17,33H,10-13H2,1-4H3
• InChIKey: VFZATIIVCBJDGL-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 70.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.58
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?

The IUPAC name of [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 177170958) is [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

What is the SMILES notation for [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?

The canonical SMILES for [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1ccc(F)cc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4ncccc4OC)CC3)cc12.

What is the InChIKey of [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?

The InChIKey is VFZATIIVCBJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O3/c1-17(2)19-15-20(21-14-18(30)7-8-24(21)37-3)22-16-23(33-27(22)26(19)31)29(36)35-12-10-34(11-13-35)28-25(38-4)6-5-9-32-28/h5-9,14-17,33H,10-13H2,1-4H3.

What are the key properties of [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?

[7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 520.58 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 177170958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).