About [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
[1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone (PubChem CID 18993143) has the molecular formula C35H25FN4O3S
and a molecular weight of 600.68 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone.
Molecular Properties
| Compound Name | [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone |
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| PubChem CID | 18993143 |
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| Molecular Formula | C35H25FN4O3S |
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| Molecular Weight | 600.68 g/mol |
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| Exact Mass | 600.16 |
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| IUPAC Name | [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone |
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| SMILES | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3cc(-c4ccc(F)cc4)ccc23)cc1 |
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| InChI | InChI=1S/C35H25FN4O3S/c1-23-38-32-20-37-18-17-33(32)39(23)21-24-7-9-26(10-8-24)35(41)31-22-40(44(42,43)29-5-3-2-4-6-29)34-19-27(13-16-30(31)34)25-11-14-28(36)15-12-25/h2-20,22H,21H2,1H3 |
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| InChIKey | DPHPQMKJILTDHQ-UHFFFAOYSA-N |
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| XLogP | 7.02 |
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| TPSA | 86.85 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 600.68 |
| LogP ≤ 5 | 7.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The IUPAC name of [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone (CID 18993143) is [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3cc(-c4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The InChIKey is DPHPQMKJILTDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN4O3S/c1-23-38-32-20-37-18-17-33(32)39(23)21-24-7-9-26(10-8-24)35(41)31-22-40(44(42,43)29-5-3-2-4-6-29)34-19-27(13-16-30(31)34)25-11-14-28(36)15-12-25/h2-20,22H,21H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
[1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone has a molecular weight of 600.68 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-6-(4-fluorophenyl)indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 18993143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).