(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

C26H28FN5O3 — CID 57424877

About (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

(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 (PubChem CID 57424877) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 57424877
• Molecular Formula: C26H28FN5O3
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.22
• IUPAC Name: (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
• SMILES: COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2CC2CCOCC2)n1
• InChI: InChI=1S/C26H28FN5O3/c1-15-24-21(31-26(28)29-15)13-22(32(25(24)33)14-16-8-10-35-11-9-16)18-7-6-17(27)12-19(18)20-4-3-5-23(30-20)34-2/h3-7,12,16,22H,8-11,13-14H2,1-2H3,(H2,28,29,31)/t22-/m1/s1
• InChIKey: QANWJNBGIFWSKZ-JOCHJYFZSA-N
• XLogP: 3.74
• TPSA: 103.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2CC2CCOCC2)n1.

What is the InChIKey of (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?

The InChIKey is QANWJNBGIFWSKZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-15-24-21(31-26(28)29-15)13-22(32(25(24)33)14-16-8-10-35-11-9-16)18-7-6-17(27)12-19(18)20-4-3-5-23(30-20)34-2/h3-7,12,16,22H,8-11,13-14H2,1-2H3,(H2,28,29,31)/t22-/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 477.54 g/mol, XLogP of 3.74, 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-methoxy-2-pyridinyl)phenyl]-4-methyl-6-(oxan-4-ylmethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 57424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).