ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C80H67F4N21O20S6 — CID 159862604

IUPACethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cc2ncccn2n1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1ccn2nccc2c1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1ccn2nccc2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H15FN4O4S.C16H14FN5O4S.C16H13FN4O4S2.C16H13FN4O4S.C15H12N4O4S/c1-9(2)26-17(25)21-15(24)12-8-13(18)27-16(12)20-14(23)10-4-6-22-11(7-10)3-5-19-22;1-8(2)26-16(25)20-13(23)9-6-11(17)27-15(9)19-14(24)10-7-12-18-4-3-5-22(12)21-10;1-7(2)25-16(24)21-11(22)8-6-10(17)26-13(8)20-12(23)15-19-9-4-3-5-18-14(9)27-15;1-2-25-16(24)20-14(23)11-8-12(17)26-15(11)19-13(22)9-4-6-21-10(7-9)3-5-18-21;1-23-15(22)18-12(20)9-5-7-24-14(9)17-13(21)10-8-19-6-3-2-4-11(19)16-10/h3-9H,1-2H3,(H,20,23)(H,21,24,25);3-8H,1-2H3,(H,19,24)(H,20,23,25);3-7H,1-2H3,(H,20,23)(H,21,22,24);3-8H,2H2,1H3,(H,19,22)(H,20,23,24);2-8H,1H3,(H,17,21)(H,18,20,22)
InChIKeyNRIKSLFBWSJLLL-UHFFFAOYSA-N
MW1910.94 g/mol
LogP13.76
Rot. Bonds19

About ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 159862604) has the molecular formula C80H67F4N21O20S6 and a molecular weight of 1910.94 g/mol. Its IUPAC name is ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID159862604
Molecular FormulaC80H67F4N21O20S6
Molecular Weight1910.94 g/mol
Exact Mass1909.31
IUPAC Nameethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cc2ncccn2n1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1ccn2nccc2c1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1ccn2nccc2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H15FN4O4S.C16H14FN5O4S.C16H13FN4O4S2.C16H13FN4O4S.C15H12N4O4S/c1-9(2)26-17(25)21-15(24)12-8-13(18)27-16(12)20-14(23)10-4-6-22-11(7-10)3-5-19-22;1-8(2)26-16(25)20-13(23)9-6-11(17)27-15(9)19-14(24)10-7-12-18-4-3-5-22(12)21-10;1-7(2)25-16(24)21-11(22)8-6-10(17)26-13(8)20-12(23)15-19-9-4-3-5-18-14(9)27-15;1-2-25-16(24)20-14(23)11-8-12(17)26-15(11)19-13(22)9-4-6-21-10(7-9)3-5-18-21;1-23-15(22)18-12(20)9-5-7-24-14(9)17-13(21)10-8-19-6-3-2-4-11(19)16-10/h3-9H,1-2H3,(H,20,23)(H,21,24,25);3-8H,1-2H3,(H,19,24)(H,20,23,25);3-7H,1-2H3,(H,20,23)(H,21,22,24);3-8H,2H2,1H3,(H,19,22)(H,20,23,24);2-8H,1H3,(H,17,21)(H,18,20,22)
InChIKeyNRIKSLFBWSJLLL-UHFFFAOYSA-N
XLogP13.76
TPSA530.37 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001910.94
LogP ≤ 513.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

N-[diethyl(oxo)-lambda6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-[diethyl(oxo)-lambda6-sulfanylidene]-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-lambda6-sulfanylidene]-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-lambda6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-N-(4-oxo-1,4-oxathian-4-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide
CID 157322528
1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 157356381
1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-phenylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-propan-2-ylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 157743336
8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione
CID 159305573
1-[4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone
CID 160257406
ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
CID 160537558
cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 160623582
1,1,1-trifluoropropan-2-yl 1-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-cyclopropylimidazo[1,2-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(3-phenyl-1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(2-piperazin-1-yl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 160652190
1,1,1-Trifluoropropan-2-yl 1-(6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-methylimidazo[1,2-b]pyridazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 161564516
1,1,1-Trifluoropropan-2-yl 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[4-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-morpholin-4-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 161824937
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 161900518
cyclobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutan-2-yl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 162031935

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 159862604) is ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cc2ncccn2n1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1ccn2nccc2c1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1ccn2nccc2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.
What is the InChIKey of ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is NRIKSLFBWSJLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S.C16H14FN5O4S.C16H13FN4O4S2.C16H13FN4O4S.C15H12N4O4S/c1-9(2)26-17(25)21-15(24)12-8-13(18)27-16(12)20-14(23)10-4-6-22-11(7-10)3-5-19-22;1-8(2)26-16(25)20-13(23)9-6-11(17)27-15(9)19-14(24)10-7-12-18-4-3-5-22(12)21-10;1-7(2)25-16(24)21-11(22)8-6-10(17)26-13(8)20-12(23)15-19-9-4-3-5-18-14(9)27-15;1-2-25-16(24)20-14(23)11-8-12(17)26-15(11)19-13(22)9-4-6-21-10(7-9)3-5-18-21;1-23-15(22)18-12(20)9-5-7-24-14(9)17-13(21)10-8-19-6-3-2-4-11(19)16-10/h3-9H,1-2H3,(H,20,23)(H,21,24,25);3-8H,1-2H3,(H,19,24)(H,20,23,25);3-7H,1-2H3,(H,20,23)(H,21,22,24);3-8H,2H2,1H3,(H,19,22)(H,20,23,24);2-8H,1H3,(H,17,21)(H,18,20,22).
What are the key properties of ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1910.94 g/mol, XLogP of 13.76, 19 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 159862604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).