2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C25H28FN5O2 — CID 67238114

IUPAC2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncccc1-c1cc(F)ccc1C1Cc2nc(N)nc(C)c2C(=O)N1CCC(C)C
InChIInChI=1S/C25H28FN5O2/c1-14(2)9-11-31-21(13-20-22(24(31)32)15(3)29-25(27)30-20)17-8-7-16(26)12-19(17)18-6-5-10-28-23(18)33-4/h5-8,10,12,14,21H,9,11,13H2,1-4H3,(H2,27,29,30)
InChIKeyXPUWYJKHTWTOBQ-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.36
Rot. Bonds6

About 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238114) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID67238114
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncccc1-c1cc(F)ccc1C1Cc2nc(N)nc(C)c2C(=O)N1CCC(C)C
InChIInChI=1S/C25H28FN5O2/c1-14(2)9-11-31-21(13-20-22(24(31)32)15(3)29-25(27)30-20)17-8-7-16(26)12-19(17)18-6-5-10-28-23(18)33-4/h5-8,10,12,14,21H,9,11,13H2,1-4H3,(H2,27,29,30)
InChIKeyXPUWYJKHTWTOBQ-UHFFFAOYSA-N
XLogP4.36
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238018
(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-6-(2-methylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424890
2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238285
(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-6-(oxan-4-ylmethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424877
2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238064
2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67237434
(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424871
(7R)-2-amino-6-[(2,4-dimethoxyphenyl)methyl]-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424864
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
(5E)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;(5E,7R)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;(5E,7S)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 172944541
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450112
2-amino-7-[2-(2-chloro-4-methoxypyrimidin-5-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87839785

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 67238114) is 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is COc1ncccc1-c1cc(F)ccc1C1Cc2nc(N)nc(C)c2C(=O)N1CCC(C)C.
What is the InChIKey of 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is XPUWYJKHTWTOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-14(2)9-11-31-21(13-20-22(24(31)32)15(3)29-25(27)30-20)17-8-7-16(26)12-19(17)18-6-5-10-28-23(18)33-4/h5-8,10,12,14,21H,9,11,13H2,1-4H3,(H2,27,29,30).
What are the key properties of 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 449.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).