About (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
(4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 121257321) has the molecular formula C18H20FN7O
and a molecular weight of 369.40 g/mol. Its IUPAC name is (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
Molecular Properties
| Compound Name | (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one |
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| PubChem CID | 121257321 |
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| Molecular Formula | C18H20FN7O |
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| Molecular Weight | 369.40 g/mol |
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| Exact Mass | 369.17 |
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| IUPAC Name | (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one |
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| SMILES | C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(N3CC[C@@H](F)C3)nc12 |
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| InChI | InChI=1S/C18H20FN7O/c1-10-14(23-18(27)21-10)6-11-8-20-26-16(22-13-2-3-13)7-15(24-17(11)26)25-5-4-12(19)9-25/h6-8,12-13,22H,1-5,9H2,(H2,21,23,27)/b14-6-/t12-/m1/s1 |
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| InChIKey | CPIPXLHITPZFFP-KXQKXUNCSA-N |
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| XLogP | 0.11 |
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| TPSA | 94.11 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 27 |
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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 | 369.40 |
| LogP ≤ 5 | 0.11 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 121257321) is (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
What is the SMILES notation for (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The canonical SMILES for (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(N3CC[C@@H](F)C3)nc12.
What is the InChIKey of (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The InChIKey is CPIPXLHITPZFFP-KXQKXUNCSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-10-14(23-18(27)21-10)6-11-8-20-26-16(22-13-2-3-13)7-15(24-17(11)26)25-5-4-12(19)9-25/h6-8,12-13,22H,1-5,9H2,(H2,21,23,27)/b14-6-/t12-/m1/s1.
What are the key properties of (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
(4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 369.40 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 121257321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).