About [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
[2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 123705695) has the molecular formula C26H35FN6O
and a molecular weight of 466.61 g/mol. Its IUPAC name is [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
Molecular Properties
| Compound Name | [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone |
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| PubChem CID | 123705695 |
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| Molecular Formula | C26H35FN6O |
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| Molecular Weight | 466.61 g/mol |
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| Exact Mass | 466.29 |
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| IUPAC Name | [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone |
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| SMILES | CCC(C)n1nc(-c2cnc(N)c(C(=O)N3CCCC3)c2)cc1C1C2CC(N3CC(F)C3)CC21 |
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| InChI | InChI=1S/C26H35FN6O/c1-3-15(2)33-23(24-19-9-18(10-20(19)24)32-13-17(27)14-32)11-22(30-33)16-8-21(25(28)29-12-16)26(34)31-6-4-5-7-31/h8,11-12,15,17-20,24H,3-7,9-10,13-14H2,1-2H3,(H2,28,29) |
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| InChIKey | SRWRAFSXRGKEHB-UHFFFAOYSA-N |
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| XLogP | 3.88 |
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| TPSA | 80.28 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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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 | 466.61 |
| LogP ≤ 5 | 3.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 123705695) is [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCC(C)n1nc(-c2cnc(N)c(C(=O)N3CCCC3)c2)cc1C1C2CC(N3CC(F)C3)CC21.
What is the InChIKey of [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SRWRAFSXRGKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O/c1-3-15(2)33-23(24-19-9-18(10-20(19)24)32-13-17(27)14-32)11-22(30-33)16-8-21(25(28)29-12-16)26(34)31-6-4-5-7-31/h8,11-12,15,17-20,24H,3-7,9-10,13-14H2,1-2H3,(H2,28,29).
What are the key properties of [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 466.61 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 123705695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).