About N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155803043) has the molecular formula C26H21FN8O
and a molecular weight of 480.51 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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| PubChem CID | 155803043 |
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| Molecular Formula | C26H21FN8O |
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| Molecular Weight | 480.51 g/mol |
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| Exact Mass | 480.18 |
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| IUPAC Name | N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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| SMILES | Cn1ncc2cc(-c3cnc(-c4ccc5c(C(=O)N[C@@H]6CCN(C#N)C6)cnn5c4)c(F)c3)ccc21 |
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| InChI | InChI=1S/C26H21FN8O/c1-33-23-4-2-16(8-19(23)11-30-33)18-9-22(27)25(29-10-18)17-3-5-24-21(12-31-35(24)13-17)26(36)32-20-6-7-34(14-20)15-28/h2-5,8-13,20H,6-7,14H2,1H3,(H,32,36)/t20-/m1/s1 |
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| InChIKey | SLXYWFMLWKLEKG-HXUWFJFHSA-N |
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| XLogP | 3.37 |
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| TPSA | 104.14 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 36 |
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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 | 480.51 |
| LogP ≤ 5 | 3.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155803043) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cn1ncc2cc(-c3cnc(-c4ccc5c(C(=O)N[C@@H]6CCN(C#N)C6)cnn5c4)c(F)c3)ccc21.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SLXYWFMLWKLEKG-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H21FN8O/c1-33-23-4-2-16(8-19(23)11-30-33)18-9-22(27)25(29-10-18)17-3-5-24-21(12-31-35(24)13-17)26(36)32-20-6-7-34(14-20)15-28/h2-5,8-13,20H,6-7,14H2,1H3,(H,32,36)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[3-fluoro-5-(1-methylindazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155803043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).