2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid

C62H73BrF3N13O8 — CID 172947927

About 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid

2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid (PubChem CID 172947927) has the molecular formula C62H73BrF3N13O8 and a molecular weight of 1265.25 g/mol. Its IUPAC name is 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid.

Molecular Properties

• Compound Name: 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid
• PubChem CID: 172947927
• Molecular Formula: C62H73BrF3N13O8
• Molecular Weight: 1265.25 g/mol
• Exact Mass: 1263.48
• IUPAC Name: 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid
• SMILES: CC(C)Br.CC(C)n1ccc2c(F)cccc21.COc1nc(/C(N)=N/OCC(OC)OC)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C(C)C)c4cccc(F)c34)CON2)ccc1-n1cnc(C)c1.Fc1cccc2[nH]ccc12.O=CO
• InChI: InChI=1S/C24H25FN6O2.C15H21N5O4.C11H12FN.C8H6FN.C3H7Br.CH2O2/c1-14(2)31-11-16(22-17(25)6-5-7-20(22)31)19-12-33-29-23(27-19)18-8-9-21(24(28-18)32-4)30-10-15(3)26-13-30;1-10-7-20(9-17-10)12-6-5-11(18-15(12)23-4)14(16)19-24-8-13(21-2)22-3;1-8(2)13-7-6-9-10(12)4-3-5-11(9)13;9-7-2-1-3-8-6(7)4-5-10-8;1-3(2)4;2-1-3/h5-11,13-14,19H,12H2,1-4H3,(H,27,29);5-7,9,13H,8H2,1-4H3,(H2,16,19);3-8H,1-2H3;1-5,10H;3H,1-2H3;1H,(H,2,3)
• InChIKey: AOEBZXSXKILQMQ-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 242.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1265.25
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid?

The IUPAC name of 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid (CID 172947927) is 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid.

What is the SMILES notation for 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid?

The canonical SMILES for 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid is CC(C)Br.CC(C)n1ccc2c(F)cccc21.COc1nc(/C(N)=N/OCC(OC)OC)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C(C)C)c4cccc(F)c34)CON2)ccc1-n1cnc(C)c1.Fc1cccc2[nH]ccc12.O=CO.

What is the InChIKey of 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid?

The InChIKey is AOEBZXSXKILQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2.C15H21N5O4.C11H12FN.C8H6FN.C3H7Br.CH2O2/c1-14(2)31-11-16(22-17(25)6-5-7-20(22)31)19-12-33-29-23(27-19)18-8-9-21(24(28-18)32-4)30-10-15(3)26-13-30;1-10-7-20(9-17-10)12-6-5-11(18-15(12)23-4)14(16)19-24-8-13(21-2)22-3;1-8(2)13-7-6-9-10(12)4-3-5-11(9)13;9-7-2-1-3-8-6(7)4-5-10-8;1-3(2)4;2-1-3/h5-11,13-14,19H,12H2,1-4H3,(H,27,29);5-7,9,13H,8H2,1-4H3,(H2,16,19);3-8H,1-2H3;1-5,10H;3H,1-2H3;1H,(H,2,3).

What are the key properties of 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid?

2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid has a molecular weight of 1265.25 g/mol, XLogP of 12.28, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopropane;N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;4-fluoro-1H-indole;4-fluoro-1-propan-2-ylindole;5-(4-fluoro-1-propan-2-ylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid is sourced from PubChem (CID 172947927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).