(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

C28H27FN6O4 — CID 57424864

IUPAC(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
SMILESCOc1ccc(CN2C(=O)c3c(C)nc(N)nc3C[C@@H]2c2ccc(F)cc2-c2cncc(OC)n2)c(OC)c1
InChIInChI=1S/C28H27FN6O4/c1-15-26-21(34-28(30)32-15)11-23(35(27(26)36)14-16-5-7-18(37-2)10-24(16)38-3)19-8-6-17(29)9-20(19)22-12-31-13-25(33-22)39-4/h5-10,12-13,23H,11,14H2,1-4H3,(H2,30,32,34)/t23-/m1/s1
InChIKeyMKVBHQFRBXWIJR-HSZRJFAPSA-N
MW530.56 g/mol
LogP3.93
Rot. Bonds7

About (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

(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 (PubChem CID 57424864) has the molecular formula C28H27FN6O4 and a molecular weight of 530.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID57424864
Molecular FormulaC28H27FN6O4
Molecular Weight530.56 g/mol
Exact Mass530.21
IUPAC Name(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
SMILESCOc1ccc(CN2C(=O)c3c(C)nc(N)nc3C[C@@H]2c2ccc(F)cc2-c2cncc(OC)n2)c(OC)c1
InChIInChI=1S/C28H27FN6O4/c1-15-26-21(34-28(30)32-15)11-23(35(27(26)36)14-16-5-7-18(37-2)10-24(16)38-3)19-8-6-17(29)9-20(19)22-12-31-13-25(33-22)39-4/h5-10,12-13,23H,11,14H2,1-4H3,(H2,30,32,34)/t23-/m1/s1
InChIKeyMKVBHQFRBXWIJR-HSZRJFAPSA-N
XLogP3.93
TPSA125.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(CN2C(=O)c3c(C)nc(N)nc3C[C@@H]2c2ccc(F)cc2-c2cncc(OC)n2)c(OC)c1.
What is the InChIKey of (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?
The InChIKey is MKVBHQFRBXWIJR-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27FN6O4/c1-15-26-21(34-28(30)32-15)11-23(35(27(26)36)14-16-5-7-18(37-2)10-24(16)38-3)19-8-6-17(29)9-20(19)22-12-31-13-25(33-22)39-4/h5-10,12-13,23H,11,14H2,1-4H3,(H2,30,32,34)/t23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 530.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 57424864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).