About N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane
N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane (PubChem CID 163221477) has the molecular formula C21H23ClFN7O
and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane.
Molecular Properties
| Compound Name | N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane |
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| PubChem CID | 163221477 |
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| Molecular Formula | C21H23ClFN7O |
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| Molecular Weight | 443.91 g/mol |
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| Exact Mass | 443.16 |
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| IUPAC Name | N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane |
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| SMILES | C1CC1.CC(C)Nc1c(F)c(Cl)c(-c2cc(N)c3nc(NC=O)cn3c2)c2cn[nH]c12 |
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| InChI | InChI=1S/C18H17ClFN7O.C3H6/c1-8(2)24-17-15(20)14(19)13(10-4-23-26-16(10)17)9-3-11(21)18-25-12(22-7-28)6-27(18)5-9;1-2-3-1/h3-8,24H,21H2,1-2H3,(H,22,28)(H,23,26);1-3H2 |
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| InChIKey | ZGIVWTKJBFLSKW-UHFFFAOYSA-N |
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| XLogP | 4.81 |
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| TPSA | 113.13 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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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 | 443.91 |
| LogP ≤ 5 | 4.81 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
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-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane?
The IUPAC name of N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane (CID 163221477) is N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane.
What is the SMILES notation for N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane?
The canonical SMILES for N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane is C1CC1.CC(C)Nc1c(F)c(Cl)c(-c2cc(N)c3nc(NC=O)cn3c2)c2cn[nH]c12.
What is the InChIKey of N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane?
The InChIKey is ZGIVWTKJBFLSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN7O.C3H6/c1-8(2)24-17-15(20)14(19)13(10-4-23-26-16(10)17)9-3-11(21)18-25-12(22-7-28)6-27(18)5-9;1-2-3-1/h3-8,24H,21H2,1-2H3,(H,22,28)(H,23,26);1-3H2.
What are the key properties of N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane?
N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane has a molecular weight of 443.91 g/mol, XLogP of 4.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide;cyclopropane is sourced from PubChem (CID 163221477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).