N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

C49H52F4N16O6 — CID 168972120

About N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972120) has the molecular formula C49H52F4N16O6 and a molecular weight of 1037.05 g/mol. Its IUPAC name is N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168972120
• Molecular Formula: C49H52F4N16O6
• Molecular Weight: 1037.05 g/mol
• Exact Mass: 1036.42
• IUPAC Name: N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• SMILES: C/N=C/C(=C\N)c1cccc(NC(=O)c2cc3oc(N4CCOCC4)nc3nc2N2CCC(F)(F)C2)n1.Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC(F)(F)CC3)n2)cn1
• InChI: InChI=1S/C25H26F2N8O3.C24H26F2N8O3/c1-33-15-16(14-28-33)18-3-2-4-20(29-18)30-23(36)17-13-19-21(32-24(38-19)35-9-11-37-12-10-35)31-22(17)34-7-5-25(26,27)6-8-34;1-28-13-15(12-27)17-3-2-4-19(29-17)30-22(35)16-11-18-20(31-21(16)34-6-5-24(25,26)14-34)32-23(37-18)33-7-9-36-10-8-33/h2-4,13-15H,5-12H2,1H3,(H,29,30,36);2-4,11-13H,5-10,14,27H2,1H3,(H,29,30,35)/b;15-12+,28-13+
• InChIKey: PYWOYBIJVIKUPR-YODTVIRSSA-N
• XLogP: 5.89
• TPSA: 249.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.05
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972120) is N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is C/N=C/C(=C\N)c1cccc(NC(=O)c2cc3oc(N4CCOCC4)nc3nc2N2CCC(F)(F)C2)n1.Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC(F)(F)CC3)n2)cn1.

What is the InChIKey of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The InChIKey is PYWOYBIJVIKUPR-YODTVIRSSA-N. The full InChI is InChI=1S/C25H26F2N8O3.C24H26F2N8O3/c1-33-15-16(14-28-33)18-3-2-4-20(29-18)30-23(36)17-13-19-21(32-24(38-19)35-9-11-37-12-10-35)31-22(17)34-7-5-25(26,27)6-8-34;1-28-13-15(12-27)17-3-2-4-19(29-17)30-22(35)16-11-18-20(31-21(16)34-6-5-24(25,26)14-34)32-23(37-18)33-7-9-36-10-8-33/h2-4,13-15H,5-12H2,1H3,(H,29,30,36);2-4,11-13H,5-10,14,27H2,1H3,(H,29,30,35)/b;15-12+,28-13+.

What are the key properties of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 1037.05 g/mol, XLogP of 5.89, 11 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-5-(3,3-difluoropyrrolidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide;5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).