2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide

C112H88F12N38O12S3 — CID 159046144

About 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide

2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 159046144) has the molecular formula C112H88F12N38O12S3 and a molecular weight of 2482.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 159046144
• Molecular Formula: C112H88F12N38O12S3
• Molecular Weight: 2482.37 g/mol
• Exact Mass: 2480.64
• IUPAC Name: 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide
• SMILES: CC(F)(F)C(=O)Nc1cccc(COc2cc3cnnnc3n2-c2ccccc2)n1.CC(F)(F)C(=O)Nc1cccc(COc2cc3nnncc3n2-c2ccccc2)n1.CC(F)(F)C(=O)Nc1cccc(COc2nc3nnncc3n2-c2ccccc2)n1.CC(F)(F)C(=O)Nc1nc(COc2cc3cnnnc3n2-c2ccccc2)cs1.CC(F)(F)C(=O)Nc1nc(COc2cc3nnncc3n2-c2ccccc2)cs1.CC(F)(F)C(=O)Nc1nc(COc2nc3nnncc3n2-c2ccccc2)cs1
• InChI: InChI=1S/2C20H16F2N6O2.C19H15F2N7O2.2C18H14F2N6O2S.C17H13F2N7O2S/c1-20(21,22)19(29)25-16-9-5-6-14(24-16)12-30-17-10-13-11-23-27-26-18(13)28(17)15-7-3-2-4-8-15;1-20(21,22)19(29)25-17-9-5-6-13(24-17)12-30-18-10-15-16(11-23-27-26-15)28(18)14-7-3-2-4-8-14;1-19(20,21)17(29)24-15-9-5-6-12(23-15)11-30-18-25-16-14(10-22-27-26-16)28(18)13-7-3-2-4-8-13;1-18(19,20)16(27)23-17-22-11(10-29-17)9-28-15-7-13-14(8-21-25-24-13)26(15)12-5-3-2-4-6-12;1-18(19,20)16(27)23-17-22-12(10-29-17)9-28-14-7-11-8-21-25-24-15(11)26(14)13-5-3-2-4-6-13;1-17(18,19)14(27)23-15-21-10(9-29-15)8-28-16-22-13-12(7-20-25-24-13)26(16)11-5-3-2-4-6-11/h2*2-11H,12H2,1H3,(H,24,25,29);2-10H,11H2,1H3,(H,23,24,29);2*2-8,10H,9H2,1H3,(H,22,23,27);2-7,9H,8H2,1H3,(H,21,23,27)
• InChIKey: JWRIXCDCSOAKPY-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 594.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 36
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2482.37
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide (CID 159046144) is 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide is CC(F)(F)C(=O)Nc1cccc(COc2cc3cnnnc3n2-c2ccccc2)n1.CC(F)(F)C(=O)Nc1cccc(COc2cc3nnncc3n2-c2ccccc2)n1.CC(F)(F)C(=O)Nc1cccc(COc2nc3nnncc3n2-c2ccccc2)n1.CC(F)(F)C(=O)Nc1nc(COc2cc3cnnnc3n2-c2ccccc2)cs1.CC(F)(F)C(=O)Nc1nc(COc2cc3nnncc3n2-c2ccccc2)cs1.CC(F)(F)C(=O)Nc1nc(COc2nc3nnncc3n2-c2ccccc2)cs1.

What is the InChIKey of 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide?

The InChIKey is JWRIXCDCSOAKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16F2N6O2.C19H15F2N7O2.2C18H14F2N6O2S.C17H13F2N7O2S/c1-20(21,22)19(29)25-16-9-5-6-14(24-16)12-30-17-10-13-11-23-27-26-18(13)28(17)15-7-3-2-4-8-15;1-20(21,22)19(29)25-17-9-5-6-13(24-17)12-30-18-10-15-16(11-23-27-26-15)28(18)14-7-3-2-4-8-14;1-19(20,21)17(29)24-15-9-5-6-12(23-15)11-30-18-25-16-14(10-22-27-26-16)28(18)13-7-3-2-4-8-13;1-18(19,20)16(27)23-17-22-11(10-29-17)9-28-15-7-13-14(8-21-25-24-13)26(15)12-5-3-2-4-6-12;1-18(19,20)16(27)23-17-22-12(10-29-17)9-28-14-7-11-8-21-25-24-15(11)26(14)13-5-3-2-4-6-13;1-17(18,19)14(27)23-15-21-10(9-29-15)8-28-16-22-13-12(7-20-25-24-13)26(16)11-5-3-2-4-6-11/h2*2-11H,12H2,1H3,(H,24,25,29);2-10H,11H2,1H3,(H,23,24,29);2*2-8,10H,9H2,1H3,(H,22,23,27);2-7,9H,8H2,1H3,(H,21,23,27).

What are the key properties of 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide?

2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 2482.37 g/mol, XLogP of 19.27, 36 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[6-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 159046144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).