About [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone
[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 59503504) has the molecular formula C24H28N8O2S2
and a molecular weight of 524.68 g/mol. Its IUPAC name is [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone |
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| PubChem CID | 59503504 |
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| Molecular Formula | C24H28N8O2S2 |
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| Molecular Weight | 524.68 g/mol |
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| Exact Mass | 524.18 |
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| IUPAC Name | [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone |
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| SMILES | Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC3)c(C(=O)N3CCSCC3)s2)n1 |
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| InChI | InChI=1S/C24H28N8O2S2/c1-16-14-32-19(18-11-26-27-12-18)13-25-23(32)22(28-16)29-20-10-17(15-30-2-6-34-7-3-30)21(36-20)24(33)31-4-8-35-9-5-31/h10-14H,2-9,15H2,1H3,(H,26,27)(H,28,29) |
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| InChIKey | NQCLLDXTNIHQJI-UHFFFAOYSA-N |
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| XLogP | 3.25 |
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| TPSA | 103.68 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.68 |
| LogP ≤ 5 | 3.25 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-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-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone (CID 59503504) is [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC3)c(C(=O)N3CCSCC3)s2)n1.
What is the InChIKey of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NQCLLDXTNIHQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S2/c1-16-14-32-19(18-11-26-27-12-18)13-25-23(32)22(28-16)29-20-10-17(15-30-2-6-34-7-3-30)21(36-20)24(33)31-4-8-35-9-5-31/h10-14H,2-9,15H2,1H3,(H,26,27)(H,28,29).
What are the key properties of [5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone?
[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 524.68 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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-(morpholin-4-ylmethyl)thiophen-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 59503504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).