About N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (PubChem CID 86275114) has the molecular formula C25H24F3N7O3S
and a molecular weight of 559.57 g/mol. Its IUPAC name is N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide.
Molecular Properties
| Compound Name | N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide |
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| PubChem CID | 86275114 |
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| Molecular Formula | C25H24F3N7O3S |
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| Molecular Weight | 559.57 g/mol |
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| Exact Mass | 559.16 |
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| IUPAC Name | N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide |
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| SMILES | Nc1cc(F)c(-c2nc(N3CCOCC3)c3nc(-c4cccc(NS(=O)(=O)CCCF)c4F)ccc3n2)cn1 |
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| InChI | InChI=1S/C25H24F3N7O3S/c26-7-2-12-39(36,37)34-19-4-1-3-15(22(19)28)18-5-6-20-23(31-18)25(35-8-10-38-11-9-35)33-24(32-20)16-14-30-21(29)13-17(16)27/h1,3-6,13-14,34H,2,7-12H2,(H2,29,30) |
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| InChIKey | RNBTWGNRFPJZCJ-UHFFFAOYSA-N |
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| XLogP | 3.55 |
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| TPSA | 136.22 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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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 | 559.57 |
| LogP ≤ 5 | 3.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (CID 86275114) is N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is Nc1cc(F)c(-c2nc(N3CCOCC3)c3nc(-c4cccc(NS(=O)(=O)CCCF)c4F)ccc3n2)cn1.
What is the InChIKey of N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is RNBTWGNRFPJZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3S/c26-7-2-12-39(36,37)34-19-4-1-3-15(22(19)28)18-5-6-20-23(31-18)25(35-8-10-38-11-9-35)33-24(32-20)16-14-30-21(29)13-17(16)27/h1,3-6,13-14,34H,2,7-12H2,(H2,29,30).
What are the key properties of N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 559.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-amino-4-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 86275114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).