N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide

C20H24F3N7O2S — CID 58333743

IUPACN-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCN(C)C(C)=O)nc2s1
InChIInChI=1S/C20H24F3N7O2S/c1-4-5-13-10-14-16(24-19(25-17(14)33-13)32-9-8-28(3)12(2)31)29-6-7-30-15(11-29)26-27-18(30)20(21,22)23/h10H,4-9,11H2,1-3H3
InChIKeyZRKBCSWVFHDFKG-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.13
Rot. Bonds7

About N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide

N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide (PubChem CID 58333743) has the molecular formula C20H24F3N7O2S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
PubChem CID58333743
Molecular FormulaC20H24F3N7O2S
Molecular Weight483.52 g/mol
Exact Mass483.17
IUPAC NameN-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCN(C)C(C)=O)nc2s1
InChIInChI=1S/C20H24F3N7O2S/c1-4-5-13-10-14-16(24-19(25-17(14)33-13)32-9-8-28(3)12(2)31)29-6-7-30-15(11-29)26-27-18(30)20(21,22)23/h10H,4-9,11H2,1-3H3
InChIKeyZRKBCSWVFHDFKG-UHFFFAOYSA-N
XLogP3.13
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?
The IUPAC name of N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide (CID 58333743) is N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCN(C)C(C)=O)nc2s1.
What is the InChIKey of N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?
The InChIKey is ZRKBCSWVFHDFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O2S/c1-4-5-13-10-14-16(24-19(25-17(14)33-13)32-9-8-28(3)12(2)31)29-6-7-30-15(11-29)26-27-18(30)20(21,22)23/h10H,4-9,11H2,1-3H3.
What are the key properties of N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?
N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide has a molecular weight of 483.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide is sourced from PubChem (CID 58333743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).