2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

C26H28F2N6O5 — CID 175909876

About 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 175909876) has the molecular formula C26H28F2N6O5 and a molecular weight of 542.54 g/mol. Its IUPAC name is 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
• PubChem CID: 175909876
• Molecular Formula: C26H28F2N6O5
• Molecular Weight: 542.54 g/mol
• Exact Mass: 542.21
• IUPAC Name: 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
• SMILES: Cc1nc(-c2onc(C)c2Nc2cncc(OC3CC(F)(F)C3)n2)ccc1NC(=O)C1CCCCC1C(=O)O
• InChI: InChI=1S/C26H28F2N6O5/c1-13-18(31-24(35)16-5-3-4-6-17(16)25(36)37)7-8-19(30-13)23-22(14(2)34-39-23)33-20-11-29-12-21(32-20)38-15-9-26(27,28)10-15/h7-8,11-12,15-17H,3-6,9-10H2,1-2H3,(H,31,35)(H,32,33)(H,36,37)
• InChIKey: QWJNBVSBGCXQKK-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 152.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.54
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

The IUPAC name of 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 175909876) is 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(-c2onc(C)c2Nc2cncc(OC3CC(F)(F)C3)n2)ccc1NC(=O)C1CCCCC1C(=O)O.

What is the InChIKey of 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

The InChIKey is QWJNBVSBGCXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O5/c1-13-18(31-24(35)16-5-3-4-6-17(16)25(36)37)7-8-19(30-13)23-22(14(2)34-39-23)33-20-11-29-12-21(32-20)38-15-9-26(27,28)10-15/h7-8,11-12,15-17H,3-6,9-10H2,1-2H3,(H,31,35)(H,32,33)(H,36,37).

What are the key properties of 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 542.54 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).