6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine

C21H20F3N7OS — CID 58334112

IUPAC6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCc3cccnc3)nc2s1
InChIInChI=1S/C21H20F3N7OS/c1-2-4-14-9-15-17(30-7-8-31-16(11-30)28-29-19(31)21(22,23)24)26-20(27-18(15)33-14)32-12-13-5-3-6-25-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyAENDBMPVDJDNNN-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.25
Rot. Bonds6

About 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine

6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 58334112) has the molecular formula C21H20F3N7OS and a molecular weight of 475.50 g/mol. Its IUPAC name is 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
PubChem CID58334112
Molecular FormulaC21H20F3N7OS
Molecular Weight475.50 g/mol
Exact Mass475.14
IUPAC Name6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCc3cccnc3)nc2s1
InChIInChI=1S/C21H20F3N7OS/c1-2-4-14-9-15-17(30-7-8-31-16(11-30)28-29-19(31)21(22,23)24)26-20(27-18(15)33-14)32-12-13-5-3-6-25-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyAENDBMPVDJDNNN-UHFFFAOYSA-N
XLogP4.25
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 58334112) is 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCc3cccnc3)nc2s1.
What is the InChIKey of 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The InChIKey is AENDBMPVDJDNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7OS/c1-2-4-14-9-15-17(30-7-8-31-16(11-30)28-29-19(31)21(22,23)24)26-20(27-18(15)33-14)32-12-13-5-3-6-25-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3.
What are the key properties of 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 475.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(pyridin-3-ylmethoxy)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 58334112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).