6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine

C19H17F3N6S — CID 133408124

IUPAC6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(c4nnc5ccc(C(F)(F)F)cn45)C3)ncnc2s1
InChIInChI=1S/C19H17F3N6S/c1-11-7-14-17(23-10-24-18(14)29-11)27-6-2-3-12(8-27)16-26-25-15-5-4-13(9-28(15)16)19(20,21)22/h4-5,7,9-10,12H,2-3,6,8H2,1H3
InChIKeySWSKNHCCHIQJKQ-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.45
Rot. Bonds2

About 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine

6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133408124) has the molecular formula C19H17F3N6S and a molecular weight of 418.45 g/mol. Its IUPAC name is 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133408124
Molecular FormulaC19H17F3N6S
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(c4nnc5ccc(C(F)(F)F)cn45)C3)ncnc2s1
InChIInChI=1S/C19H17F3N6S/c1-11-7-14-17(23-10-24-18(14)29-11)27-6-2-3-12(8-27)16-26-25-15-5-4-13(9-28(15)16)19(20,21)22/h4-5,7,9-10,12H,2-3,6,8H2,1H3
InChIKeySWSKNHCCHIQJKQ-UHFFFAOYSA-N
XLogP4.45
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 133408124) is 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCC(c4nnc5ccc(C(F)(F)F)cn45)C3)ncnc2s1.
What is the InChIKey of 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is SWSKNHCCHIQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6S/c1-11-7-14-17(23-10-24-18(14)29-11)27-6-2-3-12(8-27)16-26-25-15-5-4-13(9-28(15)16)19(20,21)22/h4-5,7,9-10,12H,2-3,6,8H2,1H3.
What are the key properties of 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 418.45 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133408124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).