About N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362323) has the molecular formula C24H29ClN6O3
and a molecular weight of 484.99 g/mol. Its IUPAC name is N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.
Molecular Properties
| Compound Name | N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide |
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| PubChem CID | 162362323 |
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| Molecular Formula | C24H29ClN6O3 |
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| Molecular Weight | 484.99 g/mol |
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| Exact Mass | 484.20 |
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| IUPAC Name | N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide |
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| SMILES | CCc1nocc1C(=O)NC(C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCC(C)CC1 |
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| InChI | InChI=1S/C24H29ClN6O3/c1-4-19-17(13-34-30-19)23(32)29-21(15-7-5-14(2)6-8-15)24(33)28-20-10-9-16(11-26-20)22-18(25)12-27-31(22)3/h9-15,21H,4-8H2,1-3H3,(H,29,32)(H,26,28,33) |
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| InChIKey | SUKGMJFKVFRBLW-UHFFFAOYSA-N |
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| XLogP | 4.25 |
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| TPSA | 114.94 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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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 | 484.99 |
| LogP ≤ 5 | 4.25 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362323) is N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)NC(C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCC(C)CC1.
What is the InChIKey of N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is SUKGMJFKVFRBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-4-19-17(13-34-30-19)23(32)29-21(15-7-5-14(2)6-8-15)24(33)28-20-10-9-16(11-26-20)22-18(25)12-27-31(22)3/h9-15,21H,4-8H2,1-3H3,(H,29,32)(H,26,28,33).
What are the key properties of N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 484.99 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).