About (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal
(Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal (PubChem CID 153343673) has the molecular formula C17H21N5O3
and a molecular weight of 343.39 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal.
Molecular Properties
| Compound Name | (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal |
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| PubChem CID | 153343673 |
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| Molecular Formula | C17H21N5O3 |
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| Molecular Weight | 343.39 g/mol |
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| Exact Mass | 343.16 |
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| IUPAC Name | (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal |
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| SMILES | N/C(C=O)=C\N(N)Cc1cn2cc(C3CC3)cc(COCC=O)c2n1 |
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| InChI | InChI=1S/C17H21N5O3/c18-15(10-24)7-22(19)9-16-8-21-6-13(12-1-2-12)5-14(17(21)20-16)11-25-4-3-23/h3,5-8,10,12H,1-2,4,9,11,18-19H2/b15-7- |
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| InChIKey | YGWSUWYNDGFTCG-CHHVJCJISA-N |
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| XLogP | 0.60 |
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| TPSA | 115.95 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 25 |
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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 | 343.39 |
| LogP ≤ 5 | 0.60 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal?
The IUPAC name of (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal (CID 153343673) is (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal is N/C(C=O)=C\N(N)Cc1cn2cc(C3CC3)cc(COCC=O)c2n1.
What is the InChIKey of (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal?
The InChIKey is YGWSUWYNDGFTCG-CHHVJCJISA-N. The full InChI is InChI=1S/C17H21N5O3/c18-15(10-24)7-22(19)9-16-8-21-6-13(12-1-2-12)5-14(17(21)20-16)11-25-4-3-23/h3,5-8,10,12H,1-2,4,9,11,18-19H2/b15-7-.
What are the key properties of (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal?
(Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal has a molecular weight of 343.39 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal is sourced from PubChem (CID 153343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).