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

C26H21F3N4 — CID 24913972

IUPAC2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1cccc(-c2ccc(CN3CCc4nc(-c5ccccc5)ncc4C3)cn2)c1
InChIInChI=1S/C26H21F3N4/c27-26(28,29)22-8-4-7-20(13-22)23-10-9-18(14-30-23)16-33-12-11-24-21(17-33)15-31-25(32-24)19-5-2-1-3-6-19/h1-10,13-15H,11-12,16-17H2
InChIKeyJIERAWDPKXEZTQ-UHFFFAOYSA-N
MW446.48 g/mol
LogP5.78
Rot. Bonds4

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

2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913972) has the molecular formula C26H21F3N4 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913972
Molecular FormulaC26H21F3N4
Molecular Weight446.48 g/mol
Exact Mass446.17
IUPAC Name2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1cccc(-c2ccc(CN3CCc4nc(-c5ccccc5)ncc4C3)cn2)c1
InChIInChI=1S/C26H21F3N4/c27-26(28,29)22-8-4-7-20(13-22)23-10-9-18(14-30-23)16-33-12-11-24-21(17-33)15-31-25(32-24)19-5-2-1-3-6-19/h1-10,13-15H,11-12,16-17H2
InChIKeyJIERAWDPKXEZTQ-UHFFFAOYSA-N
XLogP5.78
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24913983
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914110
6-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914182
6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914572
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914581
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-[[6-(3-ethoxyphenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914311
6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913995
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915307
6-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914383

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913972) is 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1cccc(-c2ccc(CN3CCc4nc(-c5ccccc5)ncc4C3)cn2)c1.
What is the InChIKey of 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JIERAWDPKXEZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4/c27-26(28,29)22-8-4-7-20(13-22)23-10-9-18(14-30-23)16-33-12-11-24-21(17-33)15-31-25(32-24)19-5-2-1-3-6-19/h1-10,13-15H,11-12,16-17H2.
What are the key properties of 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 446.48 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).