6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C159H166F3N49O20S9 — CID 159840038

IUPAC6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.Nc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)n1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)C1=CN=NC1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1nc2ccccn2n1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C23H21N5O2S.C18H16F3N5O2S.C18H17N7O2S.C18H19N5O2S.C18H20N4O3S.C17H22N4O3S.C16H17N7O2S.C16H18N6O2S.C15H16N6O2S/c29-22(19-14-17(9-12-24-19)16-6-2-1-3-7-16)25-10-5-11-26-23(30)20-15-18(27-28-20)21-8-4-13-31-21;19-18(20,21)15-6-1-4-11(24-15)16(27)22-7-3-8-23-17(28)13-10-12(25-26-13)14-5-2-9-29-14;26-17(13-11-12(22-23-13)14-5-3-10-28-14)19-7-4-8-20-18(27)16-21-15-6-1-2-9-25(15)24-16;1-12-8-13(11-19-10-12)17(24)20-5-3-6-21-18(25)15-9-14(22-23-15)16-4-2-7-26-16;1-11-9-12(2)25-16(11)18(24)20-7-4-6-19-17(23)14-10-13(21-22-14)15-5-3-8-26-15;22-16(13-11-12(20-21-13)15-6-3-10-25-15)18-7-4-8-19-17(23)14-5-1-2-9-24-14;17-14-9-18-8-12(21-14)16(25)20-5-2-4-19-15(24)11-7-10(22-23-11)13-3-1-6-26-13;1-22-9-13(19-10-22)16(24)18-6-3-5-17-15(23)12-8-11(20-21-12)14-4-2-7-25-14;22-14(10-8-18-19-9-10)16-4-2-5-17-15(23)12-7-11(20-21-12)13-3-1-6-24-13/h1-4,6-9,12-15H,5,10-11H2,(H,25,29)(H,26,30)(H,27,28);1-2,4-6,9-10H,3,7-8H2,(H,22,27)(H,23,28)(H,25,26);1-3,5-6,9-11H,4,7-8H2,(H,19,26)(H,20,27)(H,22,23);2,4,7-11H,3,5-6H2,1H3,(H,20,24)(H,21,25)(H,22,23);3,5,8-10H,4,6-7H2,1-2H3,(H,19,23)(H,20,24)(H,21,22);3,6,10-11,14H,1-2,4-5,7-9H2,(H,18,22)(H,19,23)(H,20,21);1,3,6-9H,2,4-5H2,(H2,17,21)(H,19,24)(H,20,25)(H,22,23);2,4,7-10H,3,5-6H2,1H3,(H,17,23)(H,18,24)(H,20,21);1,3,6-8H,2,4-5,9H2,(H,16,22)(H,17,23)(H,20,21)
InChIKeyNOOHGCGWMSIUOU-UHFFFAOYSA-N
MW3429.00 g/mol
LogP20.02
Rot. Bonds64

About 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide

6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159840038) has the molecular formula C159H166F3N49O20S9 and a molecular weight of 3429.00 g/mol. Its IUPAC name is 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID159840038
Molecular FormulaC159H166F3N49O20S9
Molecular Weight3429.00 g/mol
Exact Mass3426.09
IUPAC Name6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.Nc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)n1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)C1=CN=NC1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1nc2ccccn2n1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C23H21N5O2S.C18H16F3N5O2S.C18H17N7O2S.C18H19N5O2S.C18H20N4O3S.C17H22N4O3S.C16H17N7O2S.C16H18N6O2S.C15H16N6O2S/c29-22(19-14-17(9-12-24-19)16-6-2-1-3-7-16)25-10-5-11-26-23(30)20-15-18(27-28-20)21-8-4-13-31-21;19-18(20,21)15-6-1-4-11(24-15)16(27)22-7-3-8-23-17(28)13-10-12(25-26-13)14-5-2-9-29-14;26-17(13-11-12(22-23-13)14-5-3-10-28-14)19-7-4-8-20-18(27)16-21-15-6-1-2-9-25(15)24-16;1-12-8-13(11-19-10-12)17(24)20-5-3-6-21-18(25)15-9-14(22-23-15)16-4-2-7-26-16;1-11-9-12(2)25-16(11)18(24)20-7-4-6-19-17(23)14-10-13(21-22-14)15-5-3-8-26-15;22-16(13-11-12(20-21-13)15-6-3-10-25-15)18-7-4-8-19-17(23)14-5-1-2-9-24-14;17-14-9-18-8-12(21-14)16(25)20-5-2-4-19-15(24)11-7-10(22-23-11)13-3-1-6-26-13;1-22-9-13(19-10-22)16(24)18-6-3-5-17-15(23)12-8-11(20-21-12)14-4-2-7-25-14;22-14(10-8-18-19-9-10)16-4-2-5-17-15(23)12-7-11(20-21-12)13-3-1-6-24-13/h1-4,6-9,12-15H,5,10-11H2,(H,25,29)(H,26,30)(H,27,28);1-2,4-6,9-10H,3,7-8H2,(H,22,27)(H,23,28)(H,25,26);1-3,5-6,9-11H,4,7-8H2,(H,19,26)(H,20,27)(H,22,23);2,4,7-11H,3,5-6H2,1H3,(H,20,24)(H,21,25)(H,22,23);3,5,8-10H,4,6-7H2,1-2H3,(H,19,23)(H,20,24)(H,21,22);3,6,10-11,14H,1-2,4-5,7-9H2,(H,18,22)(H,19,23)(H,20,21);1,3,6-9H,2,4-5H2,(H2,17,21)(H,19,24)(H,20,25)(H,22,23);2,4,7-10H,3,5-6H2,1H3,(H,17,23)(H,18,24)(H,20,21);1,3,6-8H,2,4-5,9H2,(H,16,22)(H,17,23)(H,20,21)
InChIKeyNOOHGCGWMSIUOU-UHFFFAOYSA-N
XLogP20.02
TPSA967.49 Ų
H-Bond Donors28
H-Bond Acceptors51
Rotatable Bonds64
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003429.00
LogP ≤ 520.02
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 159840038) is 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.Nc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)n1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)C1=CN=NC1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1nc2ccccn2n1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NOOHGCGWMSIUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S.C18H16F3N5O2S.C18H17N7O2S.C18H19N5O2S.C18H20N4O3S.C17H22N4O3S.C16H17N7O2S.C16H18N6O2S.C15H16N6O2S/c29-22(19-14-17(9-12-24-19)16-6-2-1-3-7-16)25-10-5-11-26-23(30)20-15-18(27-28-20)21-8-4-13-31-21;19-18(20,21)15-6-1-4-11(24-15)16(27)22-7-3-8-23-17(28)13-10-12(25-26-13)14-5-2-9-29-14;26-17(13-11-12(22-23-13)14-5-3-10-28-14)19-7-4-8-20-18(27)16-21-15-6-1-2-9-25(15)24-16;1-12-8-13(11-19-10-12)17(24)20-5-3-6-21-18(25)15-9-14(22-23-15)16-4-2-7-26-16;1-11-9-12(2)25-16(11)18(24)20-7-4-6-19-17(23)14-10-13(21-22-14)15-5-3-8-26-15;22-16(13-11-12(20-21-13)15-6-3-10-25-15)18-7-4-8-19-17(23)14-5-1-2-9-24-14;17-14-9-18-8-12(21-14)16(25)20-5-2-4-19-15(24)11-7-10(22-23-11)13-3-1-6-26-13;1-22-9-13(19-10-22)16(24)18-6-3-5-17-15(23)12-8-11(20-21-12)14-4-2-7-25-14;22-14(10-8-18-19-9-10)16-4-2-5-17-15(23)12-7-11(20-21-12)13-3-1-6-24-13/h1-4,6-9,12-15H,5,10-11H2,(H,25,29)(H,26,30)(H,27,28);1-2,4-6,9-10H,3,7-8H2,(H,22,27)(H,23,28)(H,25,26);1-3,5-6,9-11H,4,7-8H2,(H,19,26)(H,20,27)(H,22,23);2,4,7-11H,3,5-6H2,1H3,(H,20,24)(H,21,25)(H,22,23);3,5,8-10H,4,6-7H2,1-2H3,(H,19,23)(H,20,24)(H,21,22);3,6,10-11,14H,1-2,4-5,7-9H2,(H,18,22)(H,19,23)(H,20,21);1,3,6-9H,2,4-5H2,(H2,17,21)(H,19,24)(H,20,25)(H,22,23);2,4,7-10H,3,5-6H2,1H3,(H,17,23)(H,18,24)(H,20,21);1,3,6-8H,2,4-5,9H2,(H,16,22)(H,17,23)(H,20,21).
What are the key properties of 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 3429.00 g/mol, XLogP of 20.02, 64 rotatable bonds, 28 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159840038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).