1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone

C23H24N6O3S — CID 126495623

IUPAC1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone
SMILESCOc1cc(OCC(=O)N2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C23H24N6O3S/c1-14-21(22-19(33-14)11-24-23(27-22)26-15-10-25-28(2)12-15)17-6-5-16(9-18(17)31-3)32-13-20(30)29-7-4-8-29/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,24,26,27)
InChIKeyABZHEKATUBOSDS-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.76
Rot. Bonds7

About 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone

1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone (PubChem CID 126495623) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone
PubChem CID126495623
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone
SMILESCOc1cc(OCC(=O)N2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C23H24N6O3S/c1-14-21(22-19(33-14)11-24-23(27-22)26-15-10-25-28(2)12-15)17-6-5-16(9-18(17)31-3)32-13-20(30)29-7-4-8-29/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,24,26,27)
InChIKeyABZHEKATUBOSDS-UHFFFAOYSA-N
XLogP3.76
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone (CID 126495623) is 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone is COc1cc(OCC(=O)N2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone?
The InChIKey is ABZHEKATUBOSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14-21(22-19(33-14)11-24-23(27-22)26-15-10-25-28(2)12-15)17-6-5-16(9-18(17)31-3)32-13-20(30)29-7-4-8-29/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,24,26,27).
What are the key properties of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone?
1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone has a molecular weight of 464.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone is sourced from PubChem (CID 126495623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).