About [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 11351748) has the molecular formula C24H25FN6OS
and a molecular weight of 464.57 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.
Molecular Properties
| Compound Name | [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone |
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| PubChem CID | 11351748 |
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| Molecular Formula | C24H25FN6OS |
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| Molecular Weight | 464.57 g/mol |
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| Exact Mass | 464.18 |
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| IUPAC Name | [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone |
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| SMILES | Cc1ccc(-c2sc(-c3[nH]nc4c(C)c(F)ccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1 |
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| InChI | InChI=1S/C24H25FN6OS/c1-13-5-6-15(11-26-13)22-21(24(32)31-10-9-16(12-31)30(3)4)27-23(33-22)20-17-7-8-18(25)14(2)19(17)28-29-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,28,29) |
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| InChIKey | RNIZWKYFMIBUMH-UHFFFAOYSA-N |
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| XLogP | 4.28 |
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| TPSA | 78.01 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 33 |
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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 | 464.57 |
| LogP ≤ 5 | 4.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 11351748) is [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2sc(-c3[nH]nc4c(C)c(F)ccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is RNIZWKYFMIBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6OS/c1-13-5-6-15(11-26-13)22-21(24(32)31-10-9-16(12-31)30(3)4)27-23(33-22)20-17-7-8-18(25)14(2)19(17)28-29-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,28,29).
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 464.57 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 11351748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).