About 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate (PubChem CID 163255392) has the molecular formula C29H28ClN5O5
and a molecular weight of 562.03 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate.
Molecular Properties
| Compound Name | 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate |
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| PubChem CID | 163255392 |
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| Molecular Formula | C29H28ClN5O5 |
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| Molecular Weight | 562.03 g/mol |
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| Exact Mass | 561.18 |
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| IUPAC Name | 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate |
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| SMILES | CN(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(Cl)c(C(=O)OCCN2CCOCC2)c1 |
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| InChI | InChI=1S/C29H28ClN5O5/c1-33(22-6-7-25(30)23(17-22)29(38)40-15-12-34-10-13-39-14-11-34)28(37)21-8-9-35-26(16-21)24(18-32-35)19-2-4-20(5-3-19)27(31)36/h2-9,16-18H,10-15H2,1H3,(H2,31,36) |
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| InChIKey | PQMSDWDCJFHKCB-UHFFFAOYSA-N |
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| XLogP | 3.52 |
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| TPSA | 119.47 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 562.03 |
| LogP ≤ 5 | 3.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate (CID 163255392) is 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate is CN(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(Cl)c(C(=O)OCCN2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The InChIKey is PQMSDWDCJFHKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O5/c1-33(22-6-7-25(30)23(17-22)29(38)40-15-12-34-10-13-39-14-11-34)28(37)21-8-9-35-26(16-21)24(18-32-35)19-2-4-20(5-3-19)27(31)36/h2-9,16-18H,10-15H2,1H3,(H2,31,36).
What are the key properties of 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate has a molecular weight of 562.03 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate is sourced from PubChem (CID 163255392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).