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

C20H24F3N7OS — CID 58333846

IUPAC6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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(OC[C@H]3CCCN3)nc2s1
InChIInChI=1S/C20H24F3N7OS/c1-2-4-13-9-14-16(25-19(26-17(14)32-13)31-11-12-5-3-6-24-12)29-7-8-30-15(10-29)27-28-18(30)20(21,22)23/h9,12,24H,2-8,10-11H2,1H3/t12-/m1/s1
InChIKeyKUVUROXJXVIADC-GFCCVEGCSA-N
MW467.52 g/mol
LogP3.41
Rot. Bonds6

About 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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-[[(2R)-pyrrolidin-2-yl]methoxy]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 58333846) has the molecular formula C20H24F3N7OS and a molecular weight of 467.52 g/mol. Its IUPAC name is 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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-[[(2R)-pyrrolidin-2-yl]methoxy]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
PubChem CID58333846
Molecular FormulaC20H24F3N7OS
Molecular Weight467.52 g/mol
Exact Mass467.17
IUPAC Name6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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(OC[C@H]3CCCN3)nc2s1
InChIInChI=1S/C20H24F3N7OS/c1-2-4-13-9-14-16(25-19(26-17(14)32-13)31-11-12-5-3-6-24-12)29-7-8-30-15(10-29)27-28-18(30)20(21,22)23/h9,12,24H,2-8,10-11H2,1H3/t12-/m1/s1
InChIKeyKUVUROXJXVIADC-GFCCVEGCSA-N
XLogP3.41
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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-[[(2R)-pyrrolidin-2-yl]methoxy]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 58333846) is 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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-[[(2R)-pyrrolidin-2-yl]methoxy]-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-[[(2R)-pyrrolidin-2-yl]methoxy]-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(OC[C@H]3CCCN3)nc2s1.
What is the InChIKey of 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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 KUVUROXJXVIADC-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24F3N7OS/c1-2-4-13-9-14-16(25-19(26-17(14)32-13)31-11-12-5-3-6-24-12)29-7-8-30-15(10-29)27-28-18(30)20(21,22)23/h9,12,24H,2-8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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-[[(2R)-pyrrolidin-2-yl]methoxy]-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 467.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-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 58333846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).