About 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71585276) has the molecular formula C29H28Cl2N4O3
and a molecular weight of 551.47 g/mol. Its IUPAC name is 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
Molecular Properties
| Compound Name | 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one |
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| PubChem CID | 71585276 |
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| Molecular Formula | C29H28Cl2N4O3 |
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| Molecular Weight | 551.47 g/mol |
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| Exact Mass | 550.15 |
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| IUPAC Name | 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one |
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| SMILES | CCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3C2c2ccc(Cl)cc2C)cc(Cl)c1=O |
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| InChI | InChI=1S/C29H28Cl2N4O3/c1-6-33-15-19(14-21(31)28(33)36)34-27(20-12-11-18(30)13-17(20)4)24-25(29(34)37)32-35(26(24)16(2)3)22-9-7-8-10-23(22)38-5/h7-16,27H,6H2,1-5H3 |
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| InChIKey | IBXWQDNBFLGQOV-UHFFFAOYSA-N |
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| XLogP | 6.55 |
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| TPSA | 69.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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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 | 551.47 |
| LogP ≤ 5 | 6.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71585276) is 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is CCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3C2c2ccc(Cl)cc2C)cc(Cl)c1=O.
What is the InChIKey of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is IBXWQDNBFLGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O3/c1-6-33-15-19(14-21(31)28(33)36)34-27(20-12-11-18(30)13-17(20)4)24-25(29(34)37)32-35(26(24)16(2)3)22-9-7-8-10-23(22)38-5/h7-16,27H,6H2,1-5H3.
What are the key properties of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 551.47 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71585276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).