About [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone
[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone (PubChem CID 176933837) has the molecular formula C29H30ClFN4O3
and a molecular weight of 537.04 g/mol. Its IUPAC name is [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone.
Molecular Properties
| Compound Name | [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone |
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| PubChem CID | 176933837 |
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| Molecular Formula | C29H30ClFN4O3 |
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| Molecular Weight | 537.04 g/mol |
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| Exact Mass | 536.20 |
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| IUPAC Name | [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone |
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| SMILES | COc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4nccc(Cl)c4OC)CC3)cc12 |
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| InChI | InChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-6-8-24(18)37-3)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-27(38-4)22(30)9-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3 |
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| InChIKey | DKECKEQBUZOVDV-UHFFFAOYSA-N |
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| XLogP | 6.13 |
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| TPSA | 70.69 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 537.04 |
| LogP ≤ 5 | 6.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
The IUPAC name of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone (CID 176933837) is [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone is COc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4nccc(Cl)c4OC)CC3)cc12.
What is the InChIKey of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
The InChIKey is DKECKEQBUZOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-6-8-24(18)37-3)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-27(38-4)22(30)9-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3.
What are the key properties of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone has a molecular weight of 537.04 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone is sourced from PubChem (CID 176933837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).