2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol

C24H27FN6O2S — CID 126495604

IUPAC2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCOc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(CCO)CC4)c3)nc12
InChIInChI=1S/C24H27FN6O2S/c1-15-22(19-4-3-16(25)11-20(19)33-2)23-21(34-15)13-26-24(29-23)28-17-12-27-31(14-17)18-5-7-30(8-6-18)9-10-32/h3-4,11-14,18,32H,5-10H2,1-2H3,(H,26,28,29)
InChIKeyOZUDHFDDFMGEOA-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.38
Rot. Bonds7

About 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol

2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 126495604) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID126495604
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC Name2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCOc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(CCO)CC4)c3)nc12
InChIInChI=1S/C24H27FN6O2S/c1-15-22(19-4-3-16(25)11-20(19)33-2)23-21(34-15)13-26-24(29-23)28-17-12-27-31(14-17)18-5-7-30(8-6-18)9-10-32/h3-4,11-14,18,32H,5-10H2,1-2H3,(H,26,28,29)
InChIKeyOZUDHFDDFMGEOA-UHFFFAOYSA-N
XLogP4.38
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol (CID 126495604) is 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol is COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(CCO)CC4)c3)nc12.
What is the InChIKey of 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is OZUDHFDDFMGEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-15-22(19-4-3-16(25)11-20(19)33-2)23-21(34-15)13-26-24(29-23)28-17-12-27-31(14-17)18-5-7-30(8-6-18)9-10-32/h3-4,11-14,18,32H,5-10H2,1-2H3,(H,26,28,29).
What are the key properties of 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 482.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 126495604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).