6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine

C44H50Cl3F2N7O3S2 — CID 160875931

About 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine (PubChem CID 160875931) has the molecular formula C44H50Cl3F2N7O3S2 and a molecular weight of 933.42 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine.

Molecular Properties

• Compound Name: 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
• PubChem CID: 160875931
• Molecular Formula: C44H50Cl3F2N7O3S2
• Molecular Weight: 933.42 g/mol
• Exact Mass: 931.25
• IUPAC Name: 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCSCC2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCl.NCc1ccc(N2CCSCC2)c(F)c1
• InChI: InChI=1S/C22H23ClFN3OS.C11H15FN2S.C10H9ClN2O2.CH3Cl/c1-2-18-22(27-14-16(23)5-8-21(27)25-18)20(28)7-4-15-3-6-19(17(24)13-15)26-9-11-29-12-10-26;12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-2/h3,5-6,8,13-14H,2,4,7,9-12H2,1H3;1-2,7H,3-6,8,13H2;3-5H,2H2,1H3,(H,14,15);1H3
• InChIKey: SMJUMDJFBREOHB-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 121.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	933.42
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?

The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine (CID 160875931) is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine.

What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?

The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCSCC2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCl.NCc1ccc(N2CCSCC2)c(F)c1.

What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?

The InChIKey is SMJUMDJFBREOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3OS.C11H15FN2S.C10H9ClN2O2.CH3Cl/c1-2-18-22(27-14-16(23)5-8-21(27)25-18)20(28)7-4-15-3-6-19(17(24)13-15)26-9-11-29-12-10-26;12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-2/h3,5-6,8,13-14H,2,4,7,9-12H2,1H3;1-2,7H,3-6,8,13H2;3-5H,2H2,1H3,(H,14,15);1H3.

What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine has a molecular weight of 933.42 g/mol, XLogP of 10.00, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;chloromethane;(3-fluoro-4-thiomorpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 160875931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).