2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H17F3N4OS — CID 24917262

IUPAC2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)COc1ncccc1CN1CCc2nc(-c3cccs3)ncc2C1
InChIInChI=1S/C19H17F3N4OS/c20-19(21,22)12-27-18-13(3-1-6-23-18)10-26-7-5-15-14(11-26)9-24-17(25-15)16-4-2-8-28-16/h1-4,6,8-9H,5,7,10-12H2
InChIKeyATLPCUKHLMJGEE-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.10
Rot. Bonds5

About 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917262) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917262
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)COc1ncccc1CN1CCc2nc(-c3cccs3)ncc2C1
InChIInChI=1S/C19H17F3N4OS/c20-19(21,22)12-27-18-13(3-1-6-23-18)10-26-7-5-15-14(11-26)9-24-17(25-15)16-4-2-8-28-16/h1-4,6,8-9H,5,7,10-12H2
InChIKeyATLPCUKHLMJGEE-UHFFFAOYSA-N
XLogP4.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917262) is 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)COc1ncccc1CN1CCc2nc(-c3cccs3)ncc2C1.
What is the InChIKey of 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ATLPCUKHLMJGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c20-19(21,22)12-27-18-13(3-1-6-23-18)10-26-7-5-15-14(11-26)9-24-17(25-15)16-4-2-8-28-16/h1-4,6,8-9H,5,7,10-12H2.
What are the key properties of 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 406.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).