diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane

C46H46I3N9O3S2 — CID 158039647

About diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane

diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane (PubChem CID 158039647) has the molecular formula C46H46I3N9O3S2 and a molecular weight of 1217.78 g/mol. Its IUPAC name is diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane.

Molecular Properties

• Compound Name: diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane
• PubChem CID: 158039647
• Molecular Formula: C46H46I3N9O3S2
• Molecular Weight: 1217.78 g/mol
• Exact Mass: 1217.03
• IUPAC Name: diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane
• SMILES: CCc1ccnn1-c1cc(C(=O)CCc2ccc(C)nc2)cn2c(-c3ccc(C)s3)cnc12.CCc1ccnn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12.CI.ICI
• InChI: InChI=1S/C26H25N5OS.C18H16N4O2S.CH2I2.CH3I/c1-4-21-11-12-29-31(21)22-13-20(24(32)9-8-19-7-5-17(2)27-14-19)16-30-23(15-28-26(22)30)25-10-6-18(3)33-25;1-3-13-6-7-20-22(13)14-8-12(18(23)24)10-21-15(9-19-17(14)21)16-5-4-11(2)25-16;2-1-3;1-2/h5-7,10-16H,4,8-9H2,1-3H3;4-10H,3H2,1-2H3,(H,23,24);1H2;1H3
• InChIKey: FIEPSBZZBNCSEA-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 137.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1217.78
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane?

The IUPAC name of diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane (CID 158039647) is diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane.

What is the SMILES notation for diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane?

The canonical SMILES for diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane is CCc1ccnn1-c1cc(C(=O)CCc2ccc(C)nc2)cn2c(-c3ccc(C)s3)cnc12.CCc1ccnn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12.CI.ICI.

What is the InChIKey of diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane?

The InChIKey is FIEPSBZZBNCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS.C18H16N4O2S.CH2I2.CH3I/c1-4-21-11-12-29-31(21)22-13-20(24(32)9-8-19-7-5-17(2)27-14-19)16-30-23(15-28-26(22)30)25-10-6-18(3)33-25;1-3-13-6-7-20-22(13)14-8-12(18(23)24)10-21-15(9-19-17(14)21)16-5-4-11(2)25-16;2-1-3;1-2/h5-7,10-16H,4,8-9H2,1-3H3;4-10H,3H2,1-2H3,(H,23,24);1H2;1H3.

What are the key properties of diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane?

diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane has a molecular weight of 1217.78 g/mol, XLogP of 12.32, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for diiodomethane;8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;1-[8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one;iodomethane is sourced from PubChem (CID 158039647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).