methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C26H23FN6O3 — CID 159184914

About methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 159184914) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 159184914
• Molecular Formula: C26H23FN6O3
• Molecular Weight: 486.51 g/mol
• Exact Mass: 486.18
• IUPAC Name: methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: COC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12
• InChI: InChI=1S/C26H23FN6O3/c1-32-7-6-15(31-32)10-21-25-18(19(12-28-21)26(34)35-2)11-20(30-25)16-4-3-5-17(24(16)27)22-13-33-8-9-36-14-23(33)29-22/h3-7,11-13,30H,8-10,14H2,1-2H3
• InChIKey: TZFYYNCKBSISGN-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 99.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.51
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 159184914) is methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.

What is the InChIKey of methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is TZFYYNCKBSISGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-32-7-6-15(31-32)10-21-25-18(19(12-28-21)26(34)35-2)11-20(30-25)16-4-3-5-17(24(16)27)22-13-33-8-9-36-14-23(33)29-22/h3-7,11-13,30H,8-10,14H2,1-2H3.

What are the key properties of methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 486.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 159184914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).