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

C20H19FN6O2 — CID 118724182

IUPAC(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1C
InChIInChI=1S/C20H19FN6O2/c1-9-17-15(27-20(22)24-9)7-14(25-18(17)28)12-5-4-11(21)6-13(12)16-8-23-10(2)19(26-16)29-3/h4-6,8,14H,7H2,1-3H3,(H,25,28)(H2,22,24,27)/t14-/m1/s1
InChIKeyRWORIWVOIKMLHF-CQSZACIVSA-N
MW394.41 g/mol
LogP2.31
Rot. Bonds3

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

(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 118724182) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID118724182
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1C
InChIInChI=1S/C20H19FN6O2/c1-9-17-15(27-20(22)24-9)7-14(25-18(17)28)12-5-4-11(21)6-13(12)16-8-23-10(2)19(26-16)29-3/h4-6,8,14H,7H2,1-3H3,(H,25,28)(H2,22,24,27)/t14-/m1/s1
InChIKeyRWORIWVOIKMLHF-CQSZACIVSA-N
XLogP2.31
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[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-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 118724182) is (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1C.
What is the InChIKey of (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is RWORIWVOIKMLHF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-9-17-15(27-20(22)24-9)7-14(25-18(17)28)12-5-4-11(21)6-13(12)16-8-23-10(2)19(26-16)29-3/h4-6,8,14H,7H2,1-3H3,(H,25,28)(H2,22,24,27)/t14-/m1/s1.
What are the key properties of (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 394.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 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-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 118724182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).