1-methyl-4-[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]piperazin-2-one

C20H23F3N8OS — CID 58333943

IUPAC1-methyl-4-[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]piperazin-2-one
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)C(=O)C3)nc2s1
InChIInChI=1S/C20H23F3N8OS/c1-3-4-12-9-13-16(29-7-8-31-14(10-29)26-27-18(31)20(21,22)23)24-19(25-17(13)33-12)30-6-5-28(2)15(32)11-30/h9H,3-8,10-11H2,1-2H3
InChIKeyUUICCYBDBVOALQ-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-4-[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]piperazin-2-one

1-methyl-4-[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]piperazin-2-one (PubChem CID 58333943) has the molecular formula C20H23F3N8OS and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-methyl-4-[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]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[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]piperazin-2-one
PubChem CID58333943
Molecular FormulaC20H23F3N8OS
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC Name1-methyl-4-[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]piperazin-2-one
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)C(=O)C3)nc2s1
InChIInChI=1S/C20H23F3N8OS/c1-3-4-12-9-13-16(29-7-8-31-14(10-29)26-27-18(31)20(21,22)23)24-19(25-17(13)33-12)30-6-5-28(2)15(32)11-30/h9H,3-8,10-11H2,1-2H3
InChIKeyUUICCYBDBVOALQ-UHFFFAOYSA-N
XLogP2.55
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyl-4-[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]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[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]piperazin-2-one?
The IUPAC name of 1-methyl-4-[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]piperazin-2-one (CID 58333943) is 1-methyl-4-[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]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[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]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[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]piperazin-2-one is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)C(=O)C3)nc2s1.
What is the InChIKey of 1-methyl-4-[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]piperazin-2-one?
The InChIKey is UUICCYBDBVOALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8OS/c1-3-4-12-9-13-16(29-7-8-31-14(10-29)26-27-18(31)20(21,22)23)24-19(25-17(13)33-12)30-6-5-28(2)15(32)11-30/h9H,3-8,10-11H2,1-2H3.
What are the key properties of 1-methyl-4-[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]piperazin-2-one?
1-methyl-4-[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]piperazin-2-one has a molecular weight of 480.52 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[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]piperazin-2-one is sourced from PubChem (CID 58333943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).