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

C25H26FN7O3S — CID 86274394

IUPACN-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2ccc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)c1F
InChIInChI=1S/C25H26FN7O3S/c1-2-14-37(34,35)32-19-5-3-4-17(22(19)26)18-7-8-20-23(29-18)25(33-10-12-36-13-11-33)31-24(30-20)16-6-9-21(27)28-15-16/h3-9,15,32H,2,10-14H2,1H3,(H2,27,28)
InChIKeyLKQRACJFAPDYAG-UHFFFAOYSA-N
MW523.59 g/mol
LogP3.46
Rot. Bonds7

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

N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-1-sulfonamide (PubChem CID 86274394) has the molecular formula C25H26FN7O3S and a molecular weight of 523.59 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]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-1-sulfonamide
PubChem CID86274394
Molecular FormulaC25H26FN7O3S
Molecular Weight523.59 g/mol
Exact Mass523.18
IUPAC NameN-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2ccc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)c1F
InChIInChI=1S/C25H26FN7O3S/c1-2-14-37(34,35)32-19-5-3-4-17(22(19)26)18-7-8-20-23(29-18)25(33-10-12-36-13-11-33)31-24(30-20)16-6-9-21(27)28-15-16/h3-9,15,32H,2,10-14H2,1H3,(H2,27,28)
InChIKeyLKQRACJFAPDYAG-UHFFFAOYSA-N
XLogP3.46
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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]propane-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]propane-1-sulfonamide (CID 86274394) is N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-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]propane-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]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2ccc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)c1F.
What is the InChIKey of N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-1-sulfonamide?
The InChIKey is LKQRACJFAPDYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O3S/c1-2-14-37(34,35)32-19-5-3-4-17(22(19)26)18-7-8-20-23(29-18)25(33-10-12-36-13-11-33)31-24(30-20)16-6-9-21(27)28-15-16/h3-9,15,32H,2,10-14H2,1H3,(H2,27,28).
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]propane-1-sulfonamide?
N-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]propane-1-sulfonamide has a molecular weight of 523.59 g/mol, XLogP of 3.46, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 86274394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).