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

C86H79F4N23O20S6 — CID 162031935

IUPACcyclobutyl 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
SMILESCC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.CC(OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)C(C)(F)F.CC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)C(C)(F)F.CCC(CC)OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OC1CCC1
InChIInChI=1S/C18H19N5O4S.C17H15F2N5O4S.C17H14F2N4O4S2.C17H15N5O4S.C17H16N4O4S/c1-3-12(4-2)27-18(26)22-16(25)13-6-8-28-17(13)21-15(24)11-9-19-14-5-7-20-23(14)10-11;1-9(17(2,18)19)28-16(27)23-14(26)11-4-6-29-15(11)22-13(25)10-7-20-12-3-5-21-24(12)8-10;1-8(17(2,18)19)27-16(26)23-12(24)9-4-6-28-14(9)22-13(25)15-21-10-7-20-5-3-11(10)29-15;23-14(10-8-18-13-4-6-19-22(13)9-10)20-16-12(5-7-27-16)15(24)21-17(25)26-11-2-1-3-11;1-10(2)25-17(24)20-14(22)11-6-8-26-16(11)19-15(23)12-9-21-7-4-3-5-13(21)18-12/h5-10,12H,3-4H2,1-2H3,(H,21,24)(H,22,25,26);3-9H,1-2H3,(H,22,25)(H,23,26,27);3-8H,1-2H3,(H,22,25)(H,23,24,26);4-9,11H,1-3H2,(H,20,23)(H,21,24,25);3-10H,1-2H3,(H,19,23)(H,20,22,24)
InChIKeyYWDGHIOWJKUDAR-UHFFFAOYSA-N
MW2023.11 g/mol
LogP15.35
Rot. Bonds24

About 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

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 (PubChem CID 162031935) has the molecular formula C86H79F4N23O20S6 and a molecular weight of 2023.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclobutyl 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
PubChem CID162031935
Molecular FormulaC86H79F4N23O20S6
Molecular Weight2023.11 g/mol
Exact Mass2021.41
IUPAC Namecyclobutyl 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
SMILESCC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.CC(OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)C(C)(F)F.CC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)C(C)(F)F.CCC(CC)OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OC1CCC1
InChIInChI=1S/C18H19N5O4S.C17H15F2N5O4S.C17H14F2N4O4S2.C17H15N5O4S.C17H16N4O4S/c1-3-12(4-2)27-18(26)22-16(25)13-6-8-28-17(13)21-15(24)11-9-19-14-5-7-20-23(14)10-11;1-9(17(2,18)19)28-16(27)23-14(26)11-4-6-29-15(11)22-13(25)10-7-20-12-3-5-21-24(12)8-10;1-8(17(2,18)19)27-16(26)23-12(24)9-4-6-28-14(9)22-13(25)15-21-10-7-20-5-3-11(10)29-15;23-14(10-8-18-13-4-6-19-22(13)9-10)20-16-12(5-7-27-16)15(24)21-17(25)26-11-2-1-3-11;1-10(2)25-17(24)20-14(22)11-6-8-26-16(11)19-15(23)12-9-21-7-4-3-5-13(21)18-12/h5-10,12H,3-4H2,1-2H3,(H,21,24)(H,22,25,26);3-9H,1-2H3,(H,22,25)(H,23,26,27);3-8H,1-2H3,(H,22,25)(H,23,24,26);4-9,11H,1-3H2,(H,20,23)(H,21,24,25);3-10H,1-2H3,(H,19,23)(H,20,22,24)
InChIKeyYWDGHIOWJKUDAR-UHFFFAOYSA-N
XLogP15.35
TPSA556.15 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002023.11
LogP ≤ 515.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
ethyl N-[5-fluoro-2-(imidazo[1,2-b]pyridazine-6-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-piperidin-1-ylethyl 3-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophen-3-yl]-3-oxopropanoate;propan-2-yl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]morpholine-4-carboxamide
CID 157471971
ethyl N-[5-chloro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyrazin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-(pyridazin-3-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 157875524
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
N-(3-fluoro-4-pyridinyl)-2-[3-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]acetamide;N-(3-fluoro-4-pyridinyl)-2-[5-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-3-pyridinyl]acetamide;N-(3-fluoro-4-pyridinyl)-2-[2-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,3-thiazol-5-yl]acetamide
CID 158343076
ethyl N-[2-(1,3-benzothiazol-2-ylcarbamoylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(indolizine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 158526651
ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 159095023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.CC(OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)C(C)(F)F.CC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)C(C)(F)F.CCC(CC)OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OC1CCC1.
What is the InChIKey of 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?
The InChIKey is YWDGHIOWJKUDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S.C17H15F2N5O4S.C17H14F2N4O4S2.C17H15N5O4S.C17H16N4O4S/c1-3-12(4-2)27-18(26)22-16(25)13-6-8-28-17(13)21-15(24)11-9-19-14-5-7-20-23(14)10-11;1-9(17(2,18)19)28-16(27)23-14(26)11-4-6-29-15(11)22-13(25)10-7-20-12-3-5-21-24(12)8-10;1-8(17(2,18)19)27-16(26)23-12(24)9-4-6-28-14(9)22-13(25)15-21-10-7-20-5-3-11(10)29-15;23-14(10-8-18-13-4-6-19-22(13)9-10)20-16-12(5-7-27-16)15(24)21-17(25)26-11-2-1-3-11;1-10(2)25-17(24)20-14(22)11-6-8-26-16(11)19-15(23)12-9-21-7-4-3-5-13(21)18-12/h5-10,12H,3-4H2,1-2H3,(H,21,24)(H,22,25,26);3-9H,1-2H3,(H,22,25)(H,23,26,27);3-8H,1-2H3,(H,22,25)(H,23,24,26);4-9,11H,1-3H2,(H,20,23)(H,21,24,25);3-10H,1-2H3,(H,19,23)(H,20,22,24).
What are the key properties of 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?
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 has a molecular weight of 2023.11 g/mol, XLogP of 15.35, 24 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).