(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C20H17FN4O — CID 59205073

IUPAC(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1ccccc1-c1cc(F)ccc1[C@H]1Cc2nc(N)ncc2C(=O)N1
InChIInChI=1S/C20H17FN4O/c1-11-4-2-3-5-13(11)15-8-12(21)6-7-14(15)17-9-18-16(19(26)24-17)10-23-20(22)25-18/h2-8,10,17H,9H2,1H3,(H,24,26)(H2,22,23,25)/t17-/m1/s1
InChIKeyKDONHFIXUCEHJH-QGZVFWFLSA-N
MW348.38 g/mol
LogP3.20
Rot. Bonds2

About (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 59205073) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID59205073
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1ccccc1-c1cc(F)ccc1[C@H]1Cc2nc(N)ncc2C(=O)N1
InChIInChI=1S/C20H17FN4O/c1-11-4-2-3-5-13(11)15-8-12(21)6-7-14(15)17-9-18-16(19(26)24-17)10-23-20(22)25-18/h2-8,10,17H,9H2,1H3,(H,24,26)(H2,22,23,25)/t17-/m1/s1
InChIKeyKDONHFIXUCEHJH-QGZVFWFLSA-N
XLogP3.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one 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

2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238183
2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67239176
2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 46219836
(7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 159800986
2-amino-7-[4-fluoro-2-(2-methoxy-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238292
(7R)-2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58882217
2-amino-7-[4-fluoro-2-(6-oxo-1H-pyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67237448
(7R)-2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424930
(7R)-2-amino-7-[4-fluoro-2-(4-methoxypyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424817
2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 90355750
2-amino-7-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 58269385
2-amino-7-[4-fluoro-2-[3-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67065371

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 59205073) is (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1ccccc1-c1cc(F)ccc1[C@H]1Cc2nc(N)ncc2C(=O)N1.
What is the InChIKey of (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KDONHFIXUCEHJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-11-4-2-3-5-13(11)15-8-12(21)6-7-14(15)17-9-18-16(19(26)24-17)10-23-20(22)25-18/h2-8,10,17H,9H2,1H3,(H,24,26)(H2,22,23,25)/t17-/m1/s1.
What are the key properties of (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 348.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 59205073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).