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

C18H20F3N7OS — CID 91035257

IUPAC1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(CN3CCC(O)C3)nc2s1
InChIInChI=1S/C18H20F3N7OS/c1-10-6-12-15(22-13(23-16(12)30-10)8-26-3-2-11(29)7-26)27-4-5-28-14(9-27)24-25-17(28)18(19,20)21/h6,11,29H,2-5,7-9H2,1H3
InChIKeyWIFCZVQICAXROF-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.20
Rot. Bonds3

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

1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 91035257) has the molecular formula C18H20F3N7OS and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
PubChem CID91035257
Molecular FormulaC18H20F3N7OS
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC Name1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(CN3CCC(O)C3)nc2s1
InChIInChI=1S/C18H20F3N7OS/c1-10-6-12-15(22-13(23-16(12)30-10)8-26-3-2-11(29)7-26)27-4-5-28-14(9-27)24-25-17(28)18(19,20)21/h6,11,29H,2-5,7-9H2,1H3
InChIKeyWIFCZVQICAXROF-UHFFFAOYSA-N
XLogP2.20
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol (CID 91035257) is 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol is Cc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(CN3CCC(O)C3)nc2s1.
What is the InChIKey of 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is WIFCZVQICAXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7OS/c1-10-6-12-15(22-13(23-16(12)30-10)8-26-3-2-11(29)7-26)27-4-5-28-14(9-27)24-25-17(28)18(19,20)21/h6,11,29H,2-5,7-9H2,1H3.
What are the key properties of 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol?
1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 439.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 91035257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).