About N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane
N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane (PubChem CID 163220730) has the molecular formula C22H18ClFN6O2
and a molecular weight of 452.88 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane.
Molecular Properties
| Compound Name | N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane |
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| PubChem CID | 163220730 |
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| Molecular Formula | C22H18ClFN6O2 |
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| Molecular Weight | 452.88 g/mol |
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| Exact Mass | 452.12 |
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| IUPAC Name | N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane |
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| SMILES | C1CC1.O=CNc1cn2cc(-c3c(Cl)c(F)c(C4=CC(=O)CC4)c4[nH]ncc34)ncc2n1 |
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| InChI | InChI=1S/C19H12ClFN6O2.C3H6/c20-17-16(12-6-27-7-13(23-8-28)25-14(27)5-22-12)11-4-24-26-19(11)15(18(17)21)9-1-2-10(29)3-9;1-2-3-1/h3-8H,1-2H2,(H,23,28)(H,24,26);1-3H2 |
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| InChIKey | MAWWCLNMBLUONX-UHFFFAOYSA-N |
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| XLogP | 4.55 |
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| TPSA | 105.04 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 32 |
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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 | 452.88 |
| LogP ≤ 5 | 4.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Analyze N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane (CID 163220730) is N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-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-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane is C1CC1.O=CNc1cn2cc(-c3c(Cl)c(F)c(C4=CC(=O)CC4)c4[nH]ncc34)ncc2n1.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
The InChIKey is MAWWCLNMBLUONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN6O2.C3H6/c20-17-16(12-6-27-7-13(23-8-28)25-14(27)5-22-12)11-4-24-26-19(11)15(18(17)21)9-1-2-10(29)3-9;1-2-3-1/h3-8H,1-2H2,(H,23,28)(H,24,26);1-3H2.
What are the key properties of N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?
N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane has a molecular weight of 452.88 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane is sourced from PubChem (CID 163220730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).