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

C23H19FN4O — CID 24912090

IUPAC6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(-c2cncc(CN3CCc4nc(-c5ccco5)ncc4C3)c2)cc1
InChIInChI=1S/C23H19FN4O/c24-20-5-3-17(4-6-20)18-10-16(11-25-12-18)14-28-8-7-21-19(15-28)13-26-23(27-21)22-2-1-9-29-22/h1-6,9-13H,7-8,14-15H2
InChIKeyUOFKQUPSWNJNKN-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.50
Rot. Bonds4

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

6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912090) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912090
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(-c2cncc(CN3CCc4nc(-c5ccco5)ncc4C3)c2)cc1
InChIInChI=1S/C23H19FN4O/c24-20-5-3-17(4-6-20)18-10-16(11-25-12-18)14-28-8-7-21-19(15-28)13-26-23(27-21)22-2-1-9-29-22/h1-6,9-13H,7-8,14-15H2
InChIKeyUOFKQUPSWNJNKN-UHFFFAOYSA-N
XLogP4.50
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24912093
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912087
6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917163
4-[6-[(5-fluoro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24917174
2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931676
2-(furan-2-yl)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910326
6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928683
2-(furan-2-yl)-6-[(4-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917087
5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917424
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
CID 24909111
2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910851
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911733

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912090) is 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(-c2cncc(CN3CCc4nc(-c5ccco5)ncc4C3)c2)cc1.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UOFKQUPSWNJNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-20-5-3-17(4-6-20)18-10-16(11-25-12-18)14-28-8-7-21-19(15-28)13-26-23(27-21)22-2-1-9-29-22/h1-6,9-13H,7-8,14-15H2.
What are the key properties of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 386.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).