1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone

C23H24FN7O3S — CID 159094999

IUPAC1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(N2CC(C(=O)CS(C)(=O)=O)C2)n1
InChIInChI=1S/C23H24FN7O3S/c1-14-17-10-27-23(22-25-5-3-6-26-22)28-18(17)4-7-31(14)21-9-16(24)8-20(29-21)30-11-15(12-30)19(32)13-35(2,33)34/h3,5-6,8-10,14-15H,4,7,11-13H2,1-2H3
InChIKeyRGGAGLBCEUZHCS-UHFFFAOYSA-N
MW497.56 g/mol
LogP1.64
Rot. Bonds6

About 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone

1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone (PubChem CID 159094999) has the molecular formula C23H24FN7O3S and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone
PubChem CID159094999
Molecular FormulaC23H24FN7O3S
Molecular Weight497.56 g/mol
Exact Mass497.16
IUPAC Name1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(N2CC(C(=O)CS(C)(=O)=O)C2)n1
InChIInChI=1S/C23H24FN7O3S/c1-14-17-10-27-23(22-25-5-3-6-26-22)28-18(17)4-7-31(14)21-9-16(24)8-20(29-21)30-11-15(12-30)19(32)13-35(2,33)34/h3,5-6,8-10,14-15H,4,7,11-13H2,1-2H3
InChIKeyRGGAGLBCEUZHCS-UHFFFAOYSA-N
XLogP1.64
TPSA122.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone (CID 159094999) is 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(N2CC(C(=O)CS(C)(=O)=O)C2)n1.
What is the InChIKey of 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone?
The InChIKey is RGGAGLBCEUZHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3S/c1-14-17-10-27-23(22-25-5-3-6-26-22)28-18(17)4-7-31(14)21-9-16(24)8-20(29-21)30-11-15(12-30)19(32)13-35(2,33)34/h3,5-6,8-10,14-15H,4,7,11-13H2,1-2H3.
What are the key properties of 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone?
1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone has a molecular weight of 497.56 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 159094999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).