About (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane
(2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane (PubChem CID 158783021) has the molecular formula C163H183ClF5N17O19S5
and a molecular weight of 2975.13 g/mol. Its IUPAC name is (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane?
The IUPAC name of (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane (CID 158783021) is (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane.
What is the SMILES notation for (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane?
The canonical SMILES for (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane is CC(C)C(C)C(=O)O.CC1CC1.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)OC(C)(C)C.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)[C@@H](N)C(C)C.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(C)=O.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)nc1)C(=O)OC(C)(C)C.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1.COC(=O)Cl.
What is the InChIKey of (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane?
The InChIKey is IRIBHUSZEQNRIO-FWWMWUAQSA-N. The full InChI is InChI=1S/C33H37FN4O3S.C33H36FN3O4S.C30H30FN3O3S.C28H28FN3O2S.C27H29FN4O3S.C6H12O2.C4H8.C2H3ClO2/c1-4-13-38(33(40)31(35)20(2)3)19-23-7-9-26(37-18-23)30-17-27-32(42-30)29(11-12-36-27)41-28-10-8-22(16-25(28)34)15-24(39)14-21-5-6-21;1-5-14-37(32(39)41-33(2,3)4)20-23-8-10-26(36-19-23)30-18-27-31(42-30)29(12-13-35-27)40-28-11-9-22(17-25(28)34)16-24(38)15-21-6-7-21;1-3-12-34(19(2)35)18-22-6-8-25(33-17-22)29-16-26-30(38-29)28(10-11-32-26)37-27-9-7-21(15-24(27)31)14-23(36)13-20-4-5-20;1-2-10-30-16-20-5-7-23(32-17-20)27-15-24-28(35-27)26(9-11-31-24)34-25-8-6-19(14-22(25)29)13-21(33)12-18-3-4-18;1-5-12-32(26(33)35-27(2,3)4)16-17-6-8-20(31-15-17)24-14-21-25(36-24)23(10-11-30-21)34-22-9-7-18(29)13-19(22)28;1-4(2)5(3)6(7)8;1-4-2-3-4;1-5-2(3)4/h7-12,16-18,20-21,31H,4-6,13-15,19,35H2,1-3H3;8-13,17-19,21H,5-7,14-16,20H2,1-4H3;6-11,15-17,20H,3-5,12-14,18H2,1-2H3;5-9,11,14-15,17-18,30H,2-4,10,12-13,16H2,1H3;6-11,13-15H,5,12,16,29H2,1-4H3;4-5H,1-3H3,(H,7,8);4H,2-3H2,1H3;1H3/t31-;;;;;;;/m0......./s1.
What are the key properties of (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane?
(2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane has a molecular weight of 2975.13 g/mol, XLogP of 39.72, 55 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methyl-N-propylbutanamide;tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;tert-butyl N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;2,3-dimethylbutanoic acid;methyl carbonochloridate;methylcyclopropane is sourced from PubChem (CID 158783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).