chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid

C96H81ClF4N14O19S4 — CID 157067306

About chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid

chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid (PubChem CID 157067306) has the molecular formula C96H81ClF4N14O19S4 and a molecular weight of 1974.50 g/mol. Its IUPAC name is chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid.

Molecular Properties

• Compound Name: chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid
• PubChem CID: 157067306
• Molecular Formula: C96H81ClF4N14O19S4
• Molecular Weight: 1974.50 g/mol
• Exact Mass: 1972.43
• IUPAC Name: chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid
• SMILES: COCCl.COCn1cnc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)c1.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5OC)cc4F)c3s2)c1.COCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.COc1ccccc1CC(=O)CC(=O)O.O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4cnc[nH]4)sc23)c(F)c1
• InChI: InChI=1S/C30H26FN3O5S.C19H16FN3O2S.C18H13FN4O4S.C16H9FN4O3S.C11H12O4.C2H5ClO/c1-37-18-34-16-25(33-17-34)29-15-24-30(40-29)28(9-10-32-24)39-27-8-7-19(12-23(27)31)11-21(35)14-22(36)13-20-5-3-4-6-26(20)38-2;1-12-3-4-16(13(20)7-12)25-17-5-6-21-14-8-18(26-19(14)17)15-9-23(10-22-15)11-24-2;1-26-10-22-8-14(21-9-22)17-7-13-18(28-17)16(4-5-20-13)27-15-3-2-11(23(24)25)6-12(15)19;17-10-5-9(21(22)23)1-2-13(10)24-14-3-4-19-11-6-15(25-16(11)14)12-7-18-8-20-12;1-15-10-5-3-2-4-8(10)6-9(12)7-11(13)14;1-4-2-3/h3-10,12,15-17H,11,13-14,18H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3;1-8H,(H,18,20);2-5H,6-7H2,1H3,(H,13,14);2H2,1H3
• InChIKey: ACAJFWQEQNGARA-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 400.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1974.50
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid?

The IUPAC name of chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid (CID 157067306) is chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid.

What is the SMILES notation for chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid?

The canonical SMILES for chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid is COCCl.COCn1cnc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)c1.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5OC)cc4F)c3s2)c1.COCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.COc1ccccc1CC(=O)CC(=O)O.O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4cnc[nH]4)sc23)c(F)c1.

What is the InChIKey of chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid?

The InChIKey is ACAJFWQEQNGARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O5S.C19H16FN3O2S.C18H13FN4O4S.C16H9FN4O3S.C11H12O4.C2H5ClO/c1-37-18-34-16-25(33-17-34)29-15-24-30(40-29)28(9-10-32-24)39-27-8-7-19(12-23(27)31)11-21(35)14-22(36)13-20-5-3-4-6-26(20)38-2;1-12-3-4-16(13(20)7-12)25-17-5-6-21-14-8-18(26-19(14)17)15-9-23(10-22-15)11-24-2;1-26-10-22-8-14(21-9-22)17-7-13-18(28-17)16(4-5-20-13)27-15-3-2-11(23(24)25)6-12(15)19;17-10-5-9(21(22)23)1-2-13(10)24-14-3-4-19-11-6-15(25-16(11)14)12-7-18-8-20-12;1-15-10-5-3-2-4-8(10)6-9(12)7-11(13)14;1-4-2-3/h3-10,12,15-17H,11,13-14,18H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3;1-8H,(H,18,20);2-5H,6-7H2,1H3,(H,13,14);2H2,1H3.

What are the key properties of chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid?

chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid has a molecular weight of 1974.50 g/mol, XLogP of 22.26, 33 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for chloro(methoxy)methane;1-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;7-(2-fluoro-4-methylphenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridine;4-(2-methoxyphenyl)-3-oxobutanoic acid is sourced from PubChem (CID 157067306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).