About N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85472093) has the molecular formula C28H25ClN6O4
and a molecular weight of 545.00 g/mol. Its IUPAC name is N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
Molecular Properties
| Compound Name | N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide |
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| PubChem CID | 85472093 |
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| Molecular Formula | C28H25ClN6O4 |
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| Molecular Weight | 545.00 g/mol |
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| Exact Mass | 544.16 |
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| IUPAC Name | N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide |
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| SMILES | O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cc3[nH]2)c1)c1ccco1 |
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| InChI | InChI=1S/C28H25ClN6O4/c29-22-5-4-20(32-28(36)24-2-1-10-38-24)15-21(22)26-33-23-14-19(17-31-27(23)34-26)18-3-6-25(30-16-18)39-13-9-35-7-11-37-12-8-35/h1-6,10,14-17H,7-9,11-13H2,(H,32,36)(H,31,33,34) |
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| InChIKey | WCQFUBFGHSUTSV-UHFFFAOYSA-N |
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| XLogP | 4.90 |
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| TPSA | 118.40 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 545.00 |
| LogP ≤ 5 | 4.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85472093) is N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is WCQFUBFGHSUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN6O4/c29-22-5-4-20(32-28(36)24-2-1-10-38-24)15-21(22)26-33-23-14-19(17-31-27(23)34-26)18-3-6-25(30-16-18)39-13-9-35-7-11-37-12-8-35/h1-6,10,14-17H,7-9,11-13H2,(H,32,36)(H,31,33,34).
What are the key properties of N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 545.00 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85472093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).