N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide

C147H127F12N43O7S12 — CID 158788771

IUPACN-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
SMILESCOCCN(C)Cc1ccn2c(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)s4)s3)cnc2c1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4c(CNCC(F)(F)F)cccn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cc(CNCC(F)(F)F)ccn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccc(CNCC(F)(F)F)cn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(CNCC(F)(F)F)n34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(Cn5ccnc5)n34)s2)s1
InChIInChI=1S/C26H27N7O2S2.C25H20N8OS2.4C24H20F3N7OS2/c1-32(11-12-35-2)16-17-9-10-33-20(14-28-23(33)13-17)22-15-29-26(37-22)31-24-8-7-21(36-24)25(34)30-19-6-4-3-5-18(19)27;26-17-5-1-2-6-18(17)30-24(34)20-8-9-23(35-20)31-25-29-13-21(36-25)19-12-28-22-7-3-4-16(33(19)22)14-32-11-10-27-15-32;25-24(26,27)13-29-10-14-4-3-9-34-17(11-30-21(14)34)19-12-31-23(37-19)33-20-8-7-18(36-20)22(35)32-16-6-2-1-5-15(16)28;25-24(26,27)13-29-10-14-4-3-7-20-30-11-17(34(14)20)19-12-31-23(37-19)33-21-9-8-18(36-21)22(35)32-16-6-2-1-5-15(16)28;25-24(26,27)13-29-9-14-5-7-20-30-10-17(34(20)12-14)19-11-31-23(37-19)33-21-8-6-18(36-21)22(35)32-16-4-2-1-3-15(16)28;25-24(26,27)13-29-10-14-7-8-34-17(11-30-20(34)9-14)19-12-31-23(37-19)33-21-6-5-18(36-21)22(35)32-16-4-2-1-3-15(16)28/h3-10,13-15H,11-12,16,27H2,1-2H3,(H,29,31)(H,30,34);1-13,15H,14,26H2,(H,29,31)(H,30,34);2*1-9,11-12,29H,10,13,28H2,(H,31,33)(H,32,35);1-8,10-12,29H,9,13,28H2,(H,31,33)(H,32,35);1-9,11-12,29H,10,13,28H2,(H,31,33)(H,32,35)
InChIKeyIRZXTTYCQMCHCH-UHFFFAOYSA-N
MW3220.71 g/mol
LogP33.51
Rot. Bonds49

About N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide (PubChem CID 158788771) has the molecular formula C147H127F12N43O7S12 and a molecular weight of 3220.71 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
PubChem CID158788771
Molecular FormulaC147H127F12N43O7S12
Molecular Weight3220.71 g/mol
Exact Mass3217.74
IUPAC NameN-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
SMILESCOCCN(C)Cc1ccn2c(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)s4)s3)cnc2c1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4c(CNCC(F)(F)F)cccn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cc(CNCC(F)(F)F)ccn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccc(CNCC(F)(F)F)cn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(CNCC(F)(F)F)n34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(Cn5ccnc5)n34)s2)s1
InChIInChI=1S/C26H27N7O2S2.C25H20N8OS2.4C24H20F3N7OS2/c1-32(11-12-35-2)16-17-9-10-33-20(14-28-23(33)13-17)22-15-29-26(37-22)31-24-8-7-21(36-24)25(34)30-19-6-4-3-5-18(19)27;26-17-5-1-2-6-18(17)30-24(34)20-8-9-23(35-20)31-25-29-13-21(36-25)19-12-28-22-7-3-4-16(33(19)22)14-32-11-10-27-15-32;25-24(26,27)13-29-10-14-4-3-9-34-17(11-30-21(14)34)19-12-31-23(37-19)33-20-8-7-18(36-20)22(35)32-16-6-2-1-5-15(16)28;25-24(26,27)13-29-10-14-4-3-7-20-30-11-17(34(14)20)19-12-31-23(37-19)33-21-9-8-18(36-21)22(35)32-16-6-2-1-5-15(16)28;25-24(26,27)13-29-9-14-5-7-20-30-10-17(34(20)12-14)19-11-31-23(37-19)33-21-8-6-18(36-21)22(35)32-16-4-2-1-3-15(16)28;25-24(26,27)13-29-10-14-7-8-34-17(11-30-20(34)9-14)19-12-31-23(37-19)33-21-6-5-18(36-21)22(35)32-16-4-2-1-3-15(16)28/h3-10,13-15H,11-12,16,27H2,1-2H3,(H,29,31)(H,30,34);1-13,15H,14,26H2,(H,29,31)(H,30,34);2*1-9,11-12,29H,10,13,28H2,(H,31,33)(H,32,35);1-8,10-12,29H,9,13,28H2,(H,31,33)(H,32,35);1-9,11-12,29H,10,13,28H2,(H,31,33)(H,32,35)
InChIKeyIRZXTTYCQMCHCH-UHFFFAOYSA-N
XLogP33.51
TPSA662.45 Ų
H-Bond Donors22
H-Bond Acceptors56
Rotatable Bonds49
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003220.71
LogP ≤ 533.51
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide (CID 158788771) is N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide is COCCN(C)Cc1ccn2c(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)s4)s3)cnc2c1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4c(CNCC(F)(F)F)cccn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cc(CNCC(F)(F)F)ccn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccc(CNCC(F)(F)F)cn34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(CNCC(F)(F)F)n34)s2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(Cn5ccnc5)n34)s2)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
The InChIKey is IRZXTTYCQMCHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S2.C25H20N8OS2.4C24H20F3N7OS2/c1-32(11-12-35-2)16-17-9-10-33-20(14-28-23(33)13-17)22-15-29-26(37-22)31-24-8-7-21(36-24)25(34)30-19-6-4-3-5-18(19)27;26-17-5-1-2-6-18(17)30-24(34)20-8-9-23(35-20)31-25-29-13-21(36-25)19-12-28-22-7-3-4-16(33(19)22)14-32-11-10-27-15-32;25-24(26,27)13-29-10-14-4-3-9-34-17(11-30-21(14)34)19-12-31-23(37-19)33-20-8-7-18(36-20)22(35)32-16-6-2-1-5-15(16)28;25-24(26,27)13-29-10-14-4-3-7-20-30-11-17(34(14)20)19-12-31-23(37-19)33-21-9-8-18(36-21)22(35)32-16-6-2-1-5-15(16)28;25-24(26,27)13-29-9-14-5-7-20-30-10-17(34(20)12-14)19-11-31-23(37-19)33-21-8-6-18(36-21)22(35)32-16-4-2-1-3-15(16)28;25-24(26,27)13-29-10-14-7-8-34-17(11-30-20(34)9-14)19-12-31-23(37-19)33-21-6-5-18(36-21)22(35)32-16-4-2-1-3-15(16)28/h3-10,13-15H,11-12,16,27H2,1-2H3,(H,29,31)(H,30,34);1-13,15H,14,26H2,(H,29,31)(H,30,34);2*1-9,11-12,29H,10,13,28H2,(H,31,33)(H,32,35);1-8,10-12,29H,9,13,28H2,(H,31,33)(H,32,35);1-9,11-12,29H,10,13,28H2,(H,31,33)(H,32,35).
What are the key properties of N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide has a molecular weight of 3220.71 g/mol, XLogP of 33.51, 49 rotatable bonds, 22 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 158788771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).