(2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide

C28H28F2N6O3 — CID 142341313

About (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide

(2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide (PubChem CID 142341313) has the molecular formula C28H28F2N6O3 and a molecular weight of 534.57 g/mol. Its IUPAC name is (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide
• PubChem CID: 142341313
• Molecular Formula: C28H28F2N6O3
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.22
• IUPAC Name: (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide
• SMILES: CCC[C@H]1CC[C@](CC)(c2cncc(-c3nc([C@@H](O)C(N)=O)co3)n2)c2nnc(-c3c(F)cccc3F)cc21
• InChI: InChI=1S/C28H28F2N6O3/c1-3-6-15-9-10-28(4-2,25-16(15)11-19(35-36-25)23-17(29)7-5-8-18(23)30)22-13-32-12-20(33-22)27-34-21(14-39-27)24(37)26(31)38/h5,7-8,11-15,24,37H,3-4,6,9-10H2,1-2H3,(H2,31,38)/t15-,24+,28+/m0/s1
• InChIKey: ZLYBTGPYCULBSP-KAFIHOLWSA-N
• XLogP: 4.76
• TPSA: 140.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide?

The IUPAC name of (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide (CID 142341313) is (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide.

What is the SMILES notation for (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide?

The canonical SMILES for (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide is CCC[C@H]1CC[C@](CC)(c2cncc(-c3nc([C@@H](O)C(N)=O)co3)n2)c2nnc(-c3c(F)cccc3F)cc21.

What is the InChIKey of (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide?

The InChIKey is ZLYBTGPYCULBSP-KAFIHOLWSA-N. The full InChI is InChI=1S/C28H28F2N6O3/c1-3-6-15-9-10-28(4-2,25-16(15)11-19(35-36-25)23-17(29)7-5-8-18(23)30)22-13-32-12-20(33-22)27-34-21(14-39-27)24(37)26(31)38/h5,7-8,11-15,24,37H,3-4,6,9-10H2,1-2H3,(H2,31,38)/t15-,24+,28+/m0/s1.

What are the key properties of (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide?

(2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide has a molecular weight of 534.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[6-[(5S,8R)-3-(2,6-difluorophenyl)-8-ethyl-5-propyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 142341313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).