2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide

C28H30FN5O7 — CID 86292883

About 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide

2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide (PubChem CID 86292883) has the molecular formula C28H30FN5O7 and a molecular weight of 567.57 g/mol. Its IUPAC name is 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide
• PubChem CID: 86292883
• Molecular Formula: C28H30FN5O7
• Molecular Weight: 567.57 g/mol
• Exact Mass: 567.21
• IUPAC Name: 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide
• SMILES: COc1ccc(F)cc1[C@H](Cn1c(=O)n(C(C)(C)C(N)=O)c(=O)c2nc(-c3ncco3)ccc21)OC1CCOCC1
• InChI: InChI=1S/C28H30FN5O7/c1-28(2,26(30)36)34-25(35)23-20(6-5-19(32-23)24-31-10-13-40-24)33(27(34)37)15-22(41-17-8-11-39-12-9-17)18-14-16(29)4-7-21(18)38-3/h4-7,10,13-14,17,22H,8-9,11-12,15H2,1-3H3,(H2,30,36)/t22-/m0/s1
• InChIKey: WVXPTCYRZOXYAX-QFIPXVFZSA-N
• XLogP: 2.52
• TPSA: 153.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.57
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide?

The IUPAC name of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide (CID 86292883) is 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide.

What is the SMILES notation for 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide?

The canonical SMILES for 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide is COc1ccc(F)cc1[C@H](Cn1c(=O)n(C(C)(C)C(N)=O)c(=O)c2nc(-c3ncco3)ccc21)OC1CCOCC1.

What is the InChIKey of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide?

The InChIKey is WVXPTCYRZOXYAX-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30FN5O7/c1-28(2,26(30)36)34-25(35)23-20(6-5-19(32-23)24-31-10-13-40-24)33(27(34)37)15-22(41-17-8-11-39-12-9-17)18-14-16(29)4-7-21(18)38-3/h4-7,10,13-14,17,22H,8-9,11-12,15H2,1-3H3,(H2,30,36)/t22-/m0/s1.

What are the key properties of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide?

2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide has a molecular weight of 567.57 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 86292883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).