2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol

C20H24F3N5O2S — CID 91319106

IUPAC2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol
SMILESCCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(OCC(CC)CO)nc2s1
InChIInChI=1S/C20H24F3N5O2S/c1-3-12(10-29)11-30-19-25-17(14-7-13(4-2)31-18(14)26-19)28-6-5-27-8-15(20(21,22)23)24-16(27)9-28/h7-8,12,29H,3-6,9-11H2,1-2H3
InChIKeyWBEWVDWPEPFVIC-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.89
Rot. Bonds7

About 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol

2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol (PubChem CID 91319106) has the molecular formula C20H24F3N5O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol.

Molecular Properties

Compound Name2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol
PubChem CID91319106
Molecular FormulaC20H24F3N5O2S
Molecular Weight455.51 g/mol
Exact Mass455.16
IUPAC Name2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol
SMILESCCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(OCC(CC)CO)nc2s1
InChIInChI=1S/C20H24F3N5O2S/c1-3-12(10-29)11-30-19-25-17(14-7-13(4-2)31-18(14)26-19)28-6-5-27-8-15(20(21,22)23)24-16(27)9-28/h7-8,12,29H,3-6,9-11H2,1-2H3
InChIKeyWBEWVDWPEPFVIC-UHFFFAOYSA-N
XLogP3.89
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol?
The IUPAC name of 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol (CID 91319106) is 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol.
What is the SMILES notation for 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol?
The canonical SMILES for 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol is CCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(OCC(CC)CO)nc2s1.
What is the InChIKey of 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol?
The InChIKey is WBEWVDWPEPFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2S/c1-3-12(10-29)11-30-19-25-17(14-7-13(4-2)31-18(14)26-19)28-6-5-27-8-15(20(21,22)23)24-16(27)9-28/h7-8,12,29H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol?
2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol has a molecular weight of 455.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol is sourced from PubChem (CID 91319106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).