2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C20H15F3N4O — CID 46219836

IUPAC2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1-c1cccc(F)c1F)C2
InChIInChI=1S/C20H15F3N4O/c1-9-17-16(27-20(24)25-9)8-15(26-19(17)28)11-6-5-10(21)7-13(11)12-3-2-4-14(22)18(12)23/h2-7,15H,8H2,1H3,(H,26,28)(H2,24,25,27)
InChIKeyNTKVRCIELNMDPF-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 46219836) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID46219836
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1-c1cccc(F)c1F)C2
InChIInChI=1S/C20H15F3N4O/c1-9-17-16(27-20(24)25-9)8-15(26-19(17)28)11-6-5-10(21)7-13(11)12-3-2-4-14(22)18(12)23/h2-7,15H,8H2,1H3,(H,26,28)(H2,24,25,27)
InChIKeyNTKVRCIELNMDPF-UHFFFAOYSA-N
XLogP3.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
(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
(7R)-2-amino-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424852
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
(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 59205073
(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-[2-(5-amino-6-methoxypyrazin-2-yl)-4-methoxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67237495
2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238580
(7R)-2-amino-7-[2-[5-(dimethylamino)-6-methoxypyrazin-2-yl]phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424925
2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 71198787

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 46219836) is 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1-c1cccc(F)c1F)C2.
What is the InChIKey of 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is NTKVRCIELNMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-9-17-16(27-20(24)25-9)8-15(26-19(17)28)11-6-5-10(21)7-13(11)12-3-2-4-14(22)18(12)23/h2-7,15H,8H2,1H3,(H,26,28)(H2,24,25,27).
What are the key properties of 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 384.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 46219836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).