About N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane
N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane (PubChem CID 163220664) has the molecular formula C22H20ClFN8O
and a molecular weight of 466.91 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane.
Molecular Properties
| Compound Name | N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane |
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| PubChem CID | 163220664 |
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| Molecular Formula | C22H20ClFN8O |
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| Molecular Weight | 466.91 g/mol |
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| Exact Mass | 466.14 |
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| IUPAC Name | N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane |
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| SMILES | C1CC1.CC(c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12)n1ccnc1 |
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| InChI | InChI=1S/C19H14ClFN8O.C3H6/c1-10(28-3-2-22-8-28)15-18(21)17(20)16(11-4-25-27-19(11)15)12-6-29-7-13(24-9-30)26-14(29)5-23-12;1-2-3-1/h2-10H,1H3,(H,24,30)(H,25,27);1-3H2 |
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| InChIKey | IRQWUYAYQDARMG-UHFFFAOYSA-N |
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| XLogP | 4.61 |
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| TPSA | 105.79 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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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 | 466.91 |
| LogP ≤ 5 | 4.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane (CID 163220664) is N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane.
What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane is C1CC1.CC(c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12)n1ccnc1.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
The InChIKey is IRQWUYAYQDARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN8O.C3H6/c1-10(28-3-2-22-8-28)15-18(21)17(20)16(11-4-25-27-19(11)15)12-6-29-7-13(24-9-30)26-14(29)5-23-12;1-2-3-1/h2-10H,1H3,(H,24,30)(H,25,27);1-3H2.
What are the key properties of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane has a molecular weight of 466.91 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane is sourced from PubChem (CID 163220664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).