(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

C23H25FN6O2 — CID 57424890

IUPAC(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
SMILESCOc1cncc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2CC(C)C)n1
InChIInChI=1S/C23H25FN6O2/c1-12(2)11-30-19(8-17-21(22(30)31)13(3)27-23(25)29-17)15-6-5-14(24)7-16(15)18-9-26-10-20(28-18)32-4/h5-7,9-10,12,19H,8,11H2,1-4H3,(H2,25,27,29)/t19-/m1/s1
InChIKeyOYZQWJNSTBRXOZ-LJQANCHMSA-N
MW436.49 g/mol
LogP3.37
Rot. Bonds5

About (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

(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 (PubChem CID 57424890) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID57424890
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name(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
SMILESCOc1cncc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2CC(C)C)n1
InChIInChI=1S/C23H25FN6O2/c1-12(2)11-30-19(8-17-21(22(30)31)13(3)27-23(25)29-17)15-6-5-14(24)7-16(15)18-9-26-10-20(28-18)32-4/h5-7,9-10,12,19H,8,11H2,1-4H3,(H2,25,27,29)/t19-/m1/s1
InChIKeyOYZQWJNSTBRXOZ-LJQANCHMSA-N
XLogP3.37
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cncc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2CC(C)C)n1.
What is the InChIKey of (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?
The InChIKey is OYZQWJNSTBRXOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-12(2)11-30-19(8-17-21(22(30)31)13(3)27-23(25)29-17)15-6-5-14(24)7-16(15)18-9-26-10-20(28-18)32-4/h5-7,9-10,12,19H,8,11H2,1-4H3,(H2,25,27,29)/t19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 436.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 57424890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).