About [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone
[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone (PubChem CID 25144866) has the molecular formula C25H30N8OS
and a molecular weight of 490.64 g/mol. Its IUPAC name is [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone.
Molecular Properties
| Compound Name | [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone |
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| PubChem CID | 25144866 |
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| Molecular Formula | C25H30N8OS |
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| Molecular Weight | 490.64 g/mol |
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| Exact Mass | 490.23 |
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| IUPAC Name | [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone |
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| SMILES | Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCCC3)s2)n1 |
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| InChI | InChI=1S/C25H30N8OS/c1-17-15-33-20(19-12-27-28-13-19)14-26-24(33)23(29-17)30-21-11-18(16-31-7-5-6-8-31)22(35-21)25(34)32-9-3-2-4-10-32/h11-15H,2-10,16H2,1H3,(H,27,28)(H,29,30) |
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| InChIKey | GBYRZDLCPLLMBO-UHFFFAOYSA-N |
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| XLogP | 4.45 |
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| TPSA | 94.45 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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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 | 490.64 |
| LogP ≤ 5 | 4.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone (CID 25144866) is [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCCC3)s2)n1.
What is the InChIKey of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is GBYRZDLCPLLMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8OS/c1-17-15-33-20(19-12-27-28-13-19)14-26-24(33)23(29-17)30-21-11-18(16-31-7-5-6-8-31)22(35-21)25(34)32-9-3-2-4-10-32/h11-15H,2-10,16H2,1H3,(H,27,28)(H,29,30).
What are the key properties of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone?
[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 490.64 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25144866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).