About tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 86345487) has the molecular formula C35H40N8O3
and a molecular weight of 620.76 g/mol. Its IUPAC name is tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate.
Molecular Properties
| Compound Name | tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate |
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| PubChem CID | 86345487 |
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| Molecular Formula | C35H40N8O3 |
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| Molecular Weight | 620.76 g/mol |
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| Exact Mass | 620.32 |
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| IUPAC Name | tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate |
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| SMILES | CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cn2)CC1 |
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| InChI | InChI=1S/C35H40N8O3/c1-35(2,3)46-34(44)42-16-14-40(15-17-42)31-13-9-26(22-36-31)30-23-37-32(41-18-20-45-21-19-41)33-39-28(24-43(30)33)12-11-27-10-8-25-6-4-5-7-29(25)38-27/h4-10,13,22-24H,11-12,14-21H2,1-3H3 |
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| InChIKey | UZZNZDXFUHEVJR-UHFFFAOYSA-N |
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| XLogP | 5.02 |
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| TPSA | 101.22 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 620.76 |
| LogP ≤ 5 | 5.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 86345487) is tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is UZZNZDXFUHEVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N8O3/c1-35(2,3)46-34(44)42-16-14-40(15-17-42)31-13-9-26(22-36-31)30-23-37-32(41-18-20-45-21-19-41)33-39-28(24-43(30)33)12-11-27-10-8-25-6-4-5-7-29(25)38-27/h4-10,13,22-24H,11-12,14-21H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 620.76 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 86345487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).