About N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (PubChem CID 86274622) has the molecular formula C25H25F2N7O3S
and a molecular weight of 541.58 g/mol. Its IUPAC name is N-[3-[2-(6-amino-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-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide |
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| PubChem CID | 86274622 |
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| Molecular Formula | C25H25F2N7O3S |
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| Molecular Weight | 541.58 g/mol |
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| Exact Mass | 541.17 |
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| IUPAC Name | N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide |
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| SMILES | Nc1ccc(-c2nc(N3CCOCC3)c3nc(-c4cccc(NS(=O)(=O)CCCF)c4F)ccc3n2)cn1 |
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| InChI | InChI=1S/C25H25F2N7O3S/c26-9-2-14-38(35,36)33-19-4-1-3-17(22(19)27)18-6-7-20-23(30-18)25(34-10-12-37-13-11-34)32-24(31-20)16-5-8-21(28)29-15-16/h1,3-8,15,33H,2,9-14H2,(H2,28,29) |
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| InChIKey | GZXPIRAVIANAFR-UHFFFAOYSA-N |
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| XLogP | 3.41 |
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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 | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 541.58 |
| LogP ≤ 5 | 3.41 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of N-[3-[2-(6-amino-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-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (CID 86274622) is N-[3-[2-(6-amino-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-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-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is Nc1ccc(-c2nc(N3CCOCC3)c3nc(-c4cccc(NS(=O)(=O)CCCF)c4F)ccc3n2)cn1.
What is the InChIKey of N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is GZXPIRAVIANAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O3S/c26-9-2-14-38(35,36)33-19-4-1-3-17(22(19)27)18-6-7-20-23(30-18)25(34-10-12-37-13-11-34)32-24(31-20)16-5-8-21(28)29-15-16/h1,3-8,15,33H,2,9-14H2,(H2,28,29).
What are the key properties of N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 541.58 g/mol, XLogP of 3.41, 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-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 86274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).