About [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 164625375) has the molecular formula C24H29N7O
and a molecular weight of 431.54 g/mol. Its IUPAC name is [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
Molecular Properties
| Compound Name | [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone |
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| PubChem CID | 164625375 |
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| Molecular Formula | C24H29N7O |
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| Molecular Weight | 431.54 g/mol |
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| Exact Mass | 431.24 |
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| IUPAC Name | [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone |
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| SMILES | Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@H]2CCCN2)nc1-c1cnn(C(C)C)c1 |
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| InChI | InChI=1S/C24H29N7O/c1-15(2)31-14-18(13-27-31)22-16(3)12-26-24(29-22)28-19-6-7-21-17(11-19)8-10-30(21)23(32)20-5-4-9-25-20/h6-7,11-15,20,25H,4-5,8-10H2,1-3H3,(H,26,28,29)/t20-/m1/s1 |
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| InChIKey | LULLHFSQAGQAPR-HXUWFJFHSA-N |
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| XLogP | 3.61 |
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| TPSA | 87.97 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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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 | 431.54 |
| LogP ≤ 5 | 3.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 164625375) is [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@H]2CCCN2)nc1-c1cnn(C(C)C)c1.
What is the InChIKey of [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is LULLHFSQAGQAPR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15(2)31-14-18(13-27-31)22-16(3)12-26-24(29-22)28-19-6-7-21-17(11-19)8-10-30(21)23(32)20-5-4-9-25-20/h6-7,11-15,20,25H,4-5,8-10H2,1-3H3,(H,26,28,29)/t20-/m1/s1.
What are the key properties of [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 164625375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).