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]propane-1,3-diol

C19H22F3N5O3S — CID 70909926

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]propane-1,3-diol
SMILESCCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(OCC(CO)CO)nc2s1
InChIInChI=1S/C19H22F3N5O3S/c1-2-12-5-13-16(24-18(25-17(13)31-12)30-10-11(8-28)9-29)27-4-3-26-6-14(19(20,21)22)23-15(26)7-27/h5-6,11,28-29H,2-4,7-10H2,1H3
InChIKeyLIPCLVISCRFWAY-UHFFFAOYSA-N
MW457.48 g/mol
LogP2.47
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]propane-1,3-diol

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]propane-1,3-diol (PubChem CID 70909926) has the molecular formula C19H22F3N5O3S and a molecular weight of 457.48 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]propane-1,3-diol.

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]propane-1,3-diol
PubChem CID70909926
Molecular FormulaC19H22F3N5O3S
Molecular Weight457.48 g/mol
Exact Mass457.14
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]propane-1,3-diol
SMILESCCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(OCC(CO)CO)nc2s1
InChIInChI=1S/C19H22F3N5O3S/c1-2-12-5-13-16(24-18(25-17(13)31-12)30-10-11(8-28)9-29)27-4-3-26-6-14(19(20,21)22)23-15(26)7-27/h5-6,11,28-29H,2-4,7-10H2,1H3
InChIKeyLIPCLVISCRFWAY-UHFFFAOYSA-N
XLogP2.47
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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]propane-1,3-diol 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]propane-1,3-diol?
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]propane-1,3-diol (CID 70909926) 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]propane-1,3-diol.
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]propane-1,3-diol?
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]propane-1,3-diol is CCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(OCC(CO)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]propane-1,3-diol?
The InChIKey is LIPCLVISCRFWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3S/c1-2-12-5-13-16(24-18(25-17(13)31-12)30-10-11(8-28)9-29)27-4-3-26-6-14(19(20,21)22)23-15(26)7-27/h5-6,11,28-29H,2-4,7-10H2,1H3.
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]propane-1,3-diol?
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]propane-1,3-diol has a molecular weight of 457.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]propane-1,3-diol is sourced from PubChem (CID 70909926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).