ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate

C81H73FN24O20S6 — CID 158283387

IUPACethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cnc2ccnn2c1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2nccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2c(N3CCCCC3)cnn2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
InChIInChI=1S/C20H22N6O4S.C17H16N4O4S.C16H14FN5O4S.C14H11N5O4S.C14H10N4O4S2/c1-2-30-20(29)24-18(28)14-6-9-31-19(14)23-17(27)13-10-21-16-15(11-22-26(16)12-13)25-7-4-3-5-8-25;1-10(2)25-17(24)20-15(23)13-5-8-26-16(13)19-14(22)11-4-7-21-12(9-11)3-6-18-21;1-8(2)26-16(25)21-14(24)10-5-11(17)27-15(10)20-13(23)9-6-18-12-3-4-19-22(12)7-9;1-23-14(22)18-12(21)9-3-5-24-13(9)17-11(20)8-6-15-10-2-4-16-19(10)7-8;1-22-14(21)18-10(19)7-3-5-23-12(7)17-11(20)13-16-8-6-15-4-2-9(8)24-13/h6,9-12H,2-5,7-8H2,1H3,(H,23,27)(H,24,28,29);3-10H,1-2H3,(H,19,22)(H,20,23,24);3-8H,1-2H3,(H,20,23)(H,21,24,25);2-7H,1H3,(H,17,20)(H,18,21,22);2-6H,1H3,(H,17,20)(H,18,19,21)
InChIKeyGKMACBKRSCDTAT-UHFFFAOYSA-N
MW1914.02 g/mol
LogP12.34
Rot. Bonds19

About ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 158283387) has the molecular formula C81H73FN24O20S6 and a molecular weight of 1914.02 g/mol. Its IUPAC name is ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID158283387
Molecular FormulaC81H73FN24O20S6
Molecular Weight1914.02 g/mol
Exact Mass1912.37
IUPAC Nameethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cnc2ccnn2c1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2nccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2c(N3CCCCC3)cnn2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
InChIInChI=1S/C20H22N6O4S.C17H16N4O4S.C16H14FN5O4S.C14H11N5O4S.C14H10N4O4S2/c1-2-30-20(29)24-18(28)14-6-9-31-19(14)23-17(27)13-10-21-16-15(11-22-26(16)12-13)25-7-4-3-5-8-25;1-10(2)25-17(24)20-15(23)13-5-8-26-16(13)19-14(22)11-4-7-21-12(9-11)3-6-18-21;1-8(2)26-16(25)21-14(24)10-5-11(17)27-15(10)20-13(23)9-6-18-12-3-4-19-22(12)7-9;1-23-14(22)18-12(21)9-3-5-24-13(9)17-11(20)8-6-15-10-2-4-16-19(10)7-8;1-22-14(21)18-10(19)7-3-5-23-12(7)17-11(20)13-16-8-6-15-4-2-9(8)24-13/h6,9-12H,2-5,7-8H2,1H3,(H,23,27)(H,24,28,29);3-10H,1-2H3,(H,19,22)(H,20,23,24);3-8H,1-2H3,(H,20,23)(H,21,24,25);2-7H,1H3,(H,17,20)(H,18,21,22);2-6H,1H3,(H,17,20)(H,18,19,21)
InChIKeyGKMACBKRSCDTAT-UHFFFAOYSA-N
XLogP12.34
TPSA559.39 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.02
LogP ≤ 512.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

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
benzyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(2,2-difluoro-1-phenylpropyl) N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazol-2-ylsulfonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;pyridin-3-ylmethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 157879907
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
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
[(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
cyclopentyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(2,2-difluoropropylcarbamoylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-(1H-indazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-indazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 162281801
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate (CID 158283387) is ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cnc2ccnn2c1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2nccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2c(N3CCCCC3)cnn2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.
What is the InChIKey of ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is GKMACBKRSCDTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S.C17H16N4O4S.C16H14FN5O4S.C14H11N5O4S.C14H10N4O4S2/c1-2-30-20(29)24-18(28)14-6-9-31-19(14)23-17(27)13-10-21-16-15(11-22-26(16)12-13)25-7-4-3-5-8-25;1-10(2)25-17(24)20-15(23)13-5-8-26-16(13)19-14(22)11-4-7-21-12(9-11)3-6-18-21;1-8(2)26-16(25)21-14(24)10-5-11(17)27-15(10)20-13(23)9-6-18-12-3-4-19-22(12)7-9;1-23-14(22)18-12(21)9-3-5-24-13(9)17-11(20)8-6-15-10-2-4-16-19(10)7-8;1-22-14(21)18-10(19)7-3-5-23-12(7)17-11(20)13-16-8-6-15-4-2-9(8)24-13/h6,9-12H,2-5,7-8H2,1H3,(H,23,27)(H,24,28,29);3-10H,1-2H3,(H,19,22)(H,20,23,24);3-8H,1-2H3,(H,20,23)(H,21,24,25);2-7H,1H3,(H,17,20)(H,18,21,22);2-6H,1H3,(H,17,20)(H,18,19,21).
What are the key properties of ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1914.02 g/mol, XLogP of 12.34, 19 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 158283387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).