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

C20H18F3N7OS — CID 58333831

IUPAC6-propyl-2-pyridin-2-yloxy-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(Oc3ccccn3)nc2s1
InChIInChI=1S/C20H18F3N7OS/c1-2-5-12-10-13-16(25-19(26-17(13)32-12)31-15-6-3-4-7-24-15)29-8-9-30-14(11-29)27-28-18(30)20(21,22)23/h3-4,6-7,10H,2,5,8-9,11H2,1H3
InChIKeyVUYYYSMIQRCOEV-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.46
Rot. Bonds5

About 6-propyl-2-pyridin-2-yloxy-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-2-yloxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 58333831) has the molecular formula C20H18F3N7OS and a molecular weight of 461.47 g/mol. Its IUPAC name is 6-propyl-2-pyridin-2-yloxy-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-2-yloxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
PubChem CID58333831
Molecular FormulaC20H18F3N7OS
Molecular Weight461.47 g/mol
Exact Mass461.12
IUPAC Name6-propyl-2-pyridin-2-yloxy-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(Oc3ccccn3)nc2s1
InChIInChI=1S/C20H18F3N7OS/c1-2-5-12-10-13-16(25-19(26-17(13)32-12)31-15-6-3-4-7-24-15)29-8-9-30-14(11-29)27-28-18(30)20(21,22)23/h3-4,6-7,10H,2,5,8-9,11H2,1H3
InChIKeyVUYYYSMIQRCOEV-UHFFFAOYSA-N
XLogP4.46
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-propyl-2-pyridin-2-yloxy-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-2-yloxy-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-2-yloxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 58333831) is 6-propyl-2-pyridin-2-yloxy-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-2-yloxy-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-2-yloxy-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(Oc3ccccn3)nc2s1.
What is the InChIKey of 6-propyl-2-pyridin-2-yloxy-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 VUYYYSMIQRCOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7OS/c1-2-5-12-10-13-16(25-19(26-17(13)32-12)31-15-6-3-4-7-24-15)29-8-9-30-14(11-29)27-28-18(30)20(21,22)23/h3-4,6-7,10H,2,5,8-9,11H2,1H3.
What are the key properties of 6-propyl-2-pyridin-2-yloxy-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-2-yloxy-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 461.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-pyridin-2-yloxy-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 58333831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).