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

C19H16F3N5 — CID 24931585

IUPAC2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccc(CN2CCc3cnc(-c4ccccn4)nc3C2)cn1
InChIInChI=1S/C19H16F3N5/c20-19(21,22)17-5-4-13(9-24-17)11-27-8-6-14-10-25-18(26-16(14)12-27)15-3-1-2-7-23-15/h1-5,7,9-10H,6,8,11-12H2
InChIKeySYFVAGQYDJDAQE-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.51
Rot. Bonds3

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

2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931585) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931585
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccc(CN2CCc3cnc(-c4ccccn4)nc3C2)cn1
InChIInChI=1S/C19H16F3N5/c20-19(21,22)17-5-4-13(9-24-17)11-27-8-6-14-10-25-18(26-16(14)12-27)15-3-1-2-7-23-15/h1-5,7,9-10H,6,8,11-12H2
InChIKeySYFVAGQYDJDAQE-UHFFFAOYSA-N
XLogP3.51
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931669
7-benzyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
CID 71304006
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913972
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943280
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914110
4-benzyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
CID 24733018
2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157029881
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273
2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931676

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931585) is 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is FC(F)(F)c1ccc(CN2CCc3cnc(-c4ccccn4)nc3C2)cn1.
What is the InChIKey of 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is SYFVAGQYDJDAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c20-19(21,22)17-5-4-13(9-24-17)11-27-8-6-14-10-25-18(26-16(14)12-27)15-3-1-2-7-23-15/h1-5,7,9-10H,6,8,11-12H2.
What are the key properties of 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 371.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).