About 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one
6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one (PubChem CID 177004065) has the molecular formula C23H20ClFN6O3
and a molecular weight of 482.90 g/mol. Its IUPAC name is 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one.
Molecular Properties
| Compound Name | 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one |
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| PubChem CID | 177004065 |
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| Molecular Formula | C23H20ClFN6O3 |
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| Molecular Weight | 482.90 g/mol |
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| Exact Mass | 482.13 |
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| IUPAC Name | 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one |
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| SMILES | O=C1COC(CNc2cc(-n3ccc4c(cnn4Cc4ccccc4F)c3=O)c(Cl)cn2)CN1 |
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| InChI | InChI=1S/C23H20ClFN6O3/c24-17-11-27-21(26-8-15-9-28-22(32)13-34-15)7-20(17)30-6-5-19-16(23(30)33)10-29-31(19)12-14-3-1-2-4-18(14)25/h1-7,10-11,15H,8-9,12-13H2,(H,26,27)(H,28,32) |
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| InChIKey | LGJGHCAHVGKIIN-UHFFFAOYSA-N |
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| XLogP | 2.35 |
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| TPSA | 103.07 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 482.90 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one?
The IUPAC name of 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one (CID 177004065) is 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one.
What is the SMILES notation for 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one?
The canonical SMILES for 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one is O=C1COC(CNc2cc(-n3ccc4c(cnn4Cc4ccccc4F)c3=O)c(Cl)cn2)CN1.
What is the InChIKey of 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one?
The InChIKey is LGJGHCAHVGKIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O3/c24-17-11-27-21(26-8-15-9-28-22(32)13-34-15)7-20(17)30-6-5-19-16(23(30)33)10-29-31(19)12-14-3-1-2-4-18(14)25/h1-7,10-11,15H,8-9,12-13H2,(H,26,27)(H,28,32).
What are the key properties of 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one?
6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one has a molecular weight of 482.90 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 177004065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).