7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C95H85ClF3N17O8 — CID 161467213

About 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 161467213) has the molecular formula C95H85ClF3N17O8 and a molecular weight of 1685.28 g/mol. Its IUPAC name is 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 161467213
• Molecular Formula: C95H85ClF3N17O8
• Molecular Weight: 1685.28 g/mol
• Exact Mass: 1683.64
• IUPAC Name: 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)OCCC5)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)OCCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)OCCC5)c3F)cc12.O=C(Cl)C1CC1
• InChI: InChI=1S/C35H31FN6O2.C35H30FN5O3.C21H19FN6O2.C4H5ClO/c1-37-34(43)28-19-38-33(42(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)32-27(28)18-29(39-32)25-14-8-15-26(31(25)36)30-22-41-16-9-17-44-35(41)40-30;1-43-34(42)28-19-37-33(41(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)32-27(28)18-29(38-32)25-14-8-15-26(31(25)36)30-22-40-16-9-17-44-35(40)39-30;1-24-20(29)14-9-25-19(23)18-13(14)8-15(26-18)11-4-2-5-12(17(11)22)16-10-28-6-3-7-30-21(28)27-16;5-4(6)3-1-2-3/h2-8,10-15,18-19,22,39H,9,16-17,20-21H2,1H3,(H,37,43);2-8,10-15,18-19,22,38H,9,16-17,20-21H2,1H3;2,4-5,8-10,26H,3,6-7H2,1H3,(H2,23,25)(H,24,29);3H,1-2H2
• InChIKey: WCPCXEQEFJSWHQ-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 301.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1685.28
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 161467213) is 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)OCCC5)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)OCCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)OCCC5)c3F)cc12.O=C(Cl)C1CC1.

What is the InChIKey of 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is WCPCXEQEFJSWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN6O2.C35H30FN5O3.C21H19FN6O2.C4H5ClO/c1-37-34(43)28-19-38-33(42(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)32-27(28)18-29(39-32)25-14-8-15-26(31(25)36)30-22-41-16-9-17-44-35(41)40-30;1-43-34(42)28-19-37-33(41(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)32-27(28)18-29(38-32)25-14-8-15-26(31(25)36)30-22-40-16-9-17-44-35(40)39-30;1-24-20(29)14-9-25-19(23)18-13(14)8-15(26-18)11-4-2-5-12(17(11)22)16-10-28-6-3-7-30-21(28)27-16;5-4(6)3-1-2-3/h2-8,10-15,18-19,22,39H,9,16-17,20-21H2,1H3,(H,37,43);2-8,10-15,18-19,22,38H,9,16-17,20-21H2,1H3;2,4-5,8-10,26H,3,6-7H2,1H3,(H2,23,25)(H,24,29);3H,1-2H2.

What are the key properties of 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 1685.28 g/mol, XLogP of 17.71, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 161467213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).