About N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide
N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide (PubChem CID 134434948) has the molecular formula C30H39N7O3
and a molecular weight of 545.69 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide.
Molecular Properties
| Compound Name | N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide |
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| PubChem CID | 134434948 |
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| Molecular Formula | C30H39N7O3 |
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| Molecular Weight | 545.69 g/mol |
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| Exact Mass | 545.31 |
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| IUPAC Name | N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide |
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| SMILES | CC(C)CC(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1 |
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| InChI | InChI=1S/C30H39N7O3/c1-22(2)16-28(38)34-30(3)6-8-36(9-7-30)27-5-4-23(19-32-27)26-17-25(21-37-29(26)24(18-31)20-33-37)40-15-12-35-10-13-39-14-11-35/h4-5,17,19-22H,6-16H2,1-3H3,(H,34,38) |
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| InChIKey | AMPUQKHUUHRSJK-UHFFFAOYSA-N |
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| XLogP | 3.50 |
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| TPSA | 108.02 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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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 | 545.69 |
| LogP ≤ 5 | 3.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide (CID 134434948) is N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide?
The InChIKey is AMPUQKHUUHRSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O3/c1-22(2)16-28(38)34-30(3)6-8-36(9-7-30)27-5-4-23(19-32-27)26-17-25(21-37-29(26)24(18-31)20-33-37)40-15-12-35-10-13-39-14-11-35/h4-5,17,19-22H,6-16H2,1-3H3,(H,34,38).
What are the key properties of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide?
N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide has a molecular weight of 545.69 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 134434948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).