About N-[3-[2-(6-amino-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
N-[3-[2-(6-amino-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (PubChem CID 86275115) has the molecular formula C25H24ClF2N7O3S
and a molecular weight of 576.03 g/mol. Its IUPAC name is N-[3-[2-(6-amino-5-chloro-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-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide |
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| PubChem CID | 86275115 |
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| Molecular Formula | C25H24ClF2N7O3S |
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| Molecular Weight | 576.03 g/mol |
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| Exact Mass | 575.13 |
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| IUPAC Name | N-[3-[2-(6-amino-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide |
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| SMILES | Nc1ncc(-c2nc(N3CCOCC3)c3nc(-c4cccc(NS(=O)(=O)CCCF)c4F)ccc3n2)cc1Cl |
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| InChI | InChI=1S/C25H24ClF2N7O3S/c26-17-13-15(14-30-23(17)29)24-32-20-6-5-18(31-22(20)25(33-24)35-8-10-38-11-9-35)16-3-1-4-19(21(16)28)34-39(36,37)12-2-7-27/h1,3-6,13-14,34H,2,7-12H2,(H2,29,30) |
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| InChIKey | PTPGHWTWYPGXFI-UHFFFAOYSA-N |
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| XLogP | 4.07 |
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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 | 576.03 |
| LogP ≤ 5 | 4.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[3-[2-(6-amino-5-chloro-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-5-chloro-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-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (CID 86275115) is N-[3-[2-(6-amino-5-chloro-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-5-chloro-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-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is Nc1ncc(-c2nc(N3CCOCC3)c3nc(-c4cccc(NS(=O)(=O)CCCF)c4F)ccc3n2)cc1Cl.
What is the InChIKey of N-[3-[2-(6-amino-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is PTPGHWTWYPGXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N7O3S/c26-17-13-15(14-30-23(17)29)24-32-20-6-5-18(31-22(20)25(33-24)35-8-10-38-11-9-35)16-3-1-4-19(21(16)28)34-39(36,37)12-2-7-27/h1,3-6,13-14,34H,2,7-12H2,(H2,29,30).
What are the key properties of N-[3-[2-(6-amino-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
N-[3-[2-(6-amino-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 576.03 g/mol, XLogP of 4.07, 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-5-chloro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 86275115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).