N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

C26H27F2N7O3S — CID 86275113

About N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (PubChem CID 86275113) has the molecular formula C26H27F2N7O3S and a molecular weight of 555.61 g/mol. Its IUPAC name is N-[3-[2-(6-amino-4-methyl-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-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
• PubChem CID: 86275113
• Molecular Formula: C26H27F2N7O3S
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.19
• IUPAC Name: N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
• SMILES: Cc1cc(N)ncc1-c1nc(N2CCOCC2)c2nc(-c3cccc(NS(=O)(=O)CCCF)c3F)ccc2n1
• InChI: InChI=1S/C26H27F2N7O3S/c1-16-14-22(29)30-15-18(16)25-32-21-7-6-19(31-24(21)26(33-25)35-9-11-38-12-10-35)17-4-2-5-20(23(17)28)34-39(36,37)13-3-8-27/h2,4-7,14-15,34H,3,8-13H2,1H3,(H2,29,30)
• InChIKey: XGDYVLMODDAHPP-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 136.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(6-amino-4-methyl-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-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (CID 86275113) is N-[3-[2-(6-amino-4-methyl-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-methyl-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-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is Cc1cc(N)ncc1-c1nc(N2CCOCC2)c2nc(-c3cccc(NS(=O)(=O)CCCF)c3F)ccc2n1.

What is the InChIKey of N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?

The InChIKey is XGDYVLMODDAHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O3S/c1-16-14-22(29)30-15-18(16)25-32-21-7-6-19(31-24(21)26(33-25)35-9-11-38-12-10-35)17-4-2-5-20(23(17)28)34-39(36,37)13-3-8-27/h2,4-7,14-15,34H,3,8-13H2,1H3,(H2,29,30).

What are the key properties of N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?

N-[3-[2-(6-amino-4-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 555.61 g/mol, XLogP of 3.72, 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-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 86275113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).