N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane

C198H192N48O10S7 — CID 159056623

IUPACN-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane
SMILESC.CC(Oc1ccc2ncc(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)s3)n2c1)C1CC1.CC(Oc1cccc2ncc(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)s3)n12)C1CC1.CN1CCN(C(=O)c2ccn3c(-c4cnc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)s4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4c(CNCC5CC5)cccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cc(CNCC5CC5)ccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccc(CNCC5CC5)cn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(CNCC5CC5)n34)s2)cc1
InChIInChI=1S/C29H28N8O2S.4C28H27N7OS.2C28H26N6O2S.CH4/c1-35-12-14-36(15-13-35)28(39)20-10-11-37-24(17-31-26(37)16-20)25-18-32-29(40-25)33-21-8-6-19(7-9-21)27(38)34-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)34-27(36)19-9-11-21(12-10-19)33-28-32-17-25(37-28)24-16-31-26-20(4-3-13-35(24)26)15-30-14-18-7-8-18;29-22-5-1-2-6-23(22)34-27(36)19-10-12-20(13-11-19)33-28-32-17-25(37-28)24-16-31-26-7-3-4-21(35(24)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)34-27(36)20-8-10-21(11-9-20)33-28-32-16-25(37-28)24-15-31-26-12-7-19(17-35(24)26)14-30-13-18-5-6-18;29-22-3-1-2-4-23(22)34-27(36)20-7-9-21(10-8-20)33-28-32-17-25(37-28)24-16-31-26-13-19(11-12-35(24)26)15-30-14-18-5-6-18;1-17(18-9-10-18)36-26-8-4-7-25-30-15-23(34(25)26)24-16-31-28(37-24)32-20-13-11-19(12-14-20)27(35)33-22-6-3-2-5-21(22)29;1-17(18-6-7-18)36-21-12-13-26-30-14-24(34(26)16-21)25-15-31-28(37-25)32-20-10-8-19(9-11-20)27(35)33-23-5-3-2-4-22(23)29;/h2-11,16-18H,12-15,30H2,1H3,(H,32,33)(H,34,38);1-6,9-13,16-18,30H,7-8,14-15,29H2,(H,32,33)(H,34,36);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,33)(H,34,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,33)(H,34,36);1-4,7-13,16-18,30H,5-6,14-15,29H2,(H,32,33)(H,34,36);2-8,11-18H,9-10,29H2,1H3,(H,31,32)(H,33,35);2-5,8-18H,6-7,29H2,1H3,(H,31,32)(H,33,35);1H4
InChIKeyJXYBAOSXXQFUGP-UHFFFAOYSA-N
MW3628.51 g/mol
LogP39.63
Rot. Bonds58

About N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane

N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane (PubChem CID 159056623) has the molecular formula C198H192N48O10S7 and a molecular weight of 3628.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane
PubChem CID159056623
Molecular FormulaC198H192N48O10S7
Molecular Weight3628.51 g/mol
Exact Mass3625.40
IUPAC NameN-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane
SMILESC.CC(Oc1ccc2ncc(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)s3)n2c1)C1CC1.CC(Oc1cccc2ncc(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)s3)n12)C1CC1.CN1CCN(C(=O)c2ccn3c(-c4cnc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)s4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4c(CNCC5CC5)cccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cc(CNCC5CC5)ccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccc(CNCC5CC5)cn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(CNCC5CC5)n34)s2)cc1
InChIInChI=1S/C29H28N8O2S.4C28H27N7OS.2C28H26N6O2S.CH4/c1-35-12-14-36(15-13-35)28(39)20-10-11-37-24(17-31-26(37)16-20)25-18-32-29(40-25)33-21-8-6-19(7-9-21)27(38)34-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)34-27(36)19-9-11-21(12-10-19)33-28-32-17-25(37-28)24-16-31-26-20(4-3-13-35(24)26)15-30-14-18-7-8-18;29-22-5-1-2-6-23(22)34-27(36)19-10-12-20(13-11-19)33-28-32-17-25(37-28)24-16-31-26-7-3-4-21(35(24)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)34-27(36)20-8-10-21(11-9-20)33-28-32-16-25(37-28)24-15-31-26-12-7-19(17-35(24)26)14-30-13-18-5-6-18;29-22-3-1-2-4-23(22)34-27(36)20-7-9-21(10-8-20)33-28-32-17-25(37-28)24-16-31-26-13-19(11-12-35(24)26)15-30-14-18-5-6-18;1-17(18-9-10-18)36-26-8-4-7-25-30-15-23(34(25)26)24-16-31-28(37-24)32-20-13-11-19(12-14-20)27(35)33-22-6-3-2-5-21(22)29;1-17(18-6-7-18)36-21-12-13-26-30-14-24(34(26)16-21)25-15-31-28(37-25)32-20-10-8-19(9-11-20)27(35)33-23-5-3-2-4-22(23)29;/h2-11,16-18H,12-15,30H2,1H3,(H,32,33)(H,34,38);1-6,9-13,16-18,30H,7-8,14-15,29H2,(H,32,33)(H,34,36);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,33)(H,34,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,33)(H,34,36);1-4,7-13,16-18,30H,5-6,14-15,29H2,(H,32,33)(H,34,36);2-8,11-18H,9-10,29H2,1H3,(H,31,32)(H,33,35);2-5,8-18H,6-7,29H2,1H3,(H,31,32)(H,33,35);1H4
InChIKeyJXYBAOSXXQFUGP-UHFFFAOYSA-N
XLogP39.63
TPSA771.51 Ų
H-Bond Donors25
H-Bond Acceptors57
Rotatable Bonds58
Heavy Atoms263
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003628.51
LogP ≤ 539.63
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane?
The IUPAC name of N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane (CID 159056623) is N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane.
What is the SMILES notation for N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane?
The canonical SMILES for N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane is C.CC(Oc1ccc2ncc(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)s3)n2c1)C1CC1.CC(Oc1cccc2ncc(-c3cnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)s3)n12)C1CC1.CN1CCN(C(=O)c2ccn3c(-c4cnc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)s4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4c(CNCC5CC5)cccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cc(CNCC5CC5)ccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccc(CNCC5CC5)cn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4cccc(CNCC5CC5)n34)s2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane?
The InChIKey is JXYBAOSXXQFUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O2S.4C28H27N7OS.2C28H26N6O2S.CH4/c1-35-12-14-36(15-13-35)28(39)20-10-11-37-24(17-31-26(37)16-20)25-18-32-29(40-25)33-21-8-6-19(7-9-21)27(38)34-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)34-27(36)19-9-11-21(12-10-19)33-28-32-17-25(37-28)24-16-31-26-20(4-3-13-35(24)26)15-30-14-18-7-8-18;29-22-5-1-2-6-23(22)34-27(36)19-10-12-20(13-11-19)33-28-32-17-25(37-28)24-16-31-26-7-3-4-21(35(24)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)34-27(36)20-8-10-21(11-9-20)33-28-32-16-25(37-28)24-15-31-26-12-7-19(17-35(24)26)14-30-13-18-5-6-18;29-22-3-1-2-4-23(22)34-27(36)20-7-9-21(10-8-20)33-28-32-17-25(37-28)24-16-31-26-13-19(11-12-35(24)26)15-30-14-18-5-6-18;1-17(18-9-10-18)36-26-8-4-7-25-30-15-23(34(25)26)24-16-31-28(37-24)32-20-13-11-19(12-14-20)27(35)33-22-6-3-2-5-21(22)29;1-17(18-6-7-18)36-21-12-13-26-30-14-24(34(26)16-21)25-15-31-28(37-25)32-20-10-8-19(9-11-20)27(35)33-23-5-3-2-4-22(23)29;/h2-11,16-18H,12-15,30H2,1H3,(H,32,33)(H,34,38);1-6,9-13,16-18,30H,7-8,14-15,29H2,(H,32,33)(H,34,36);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,33)(H,34,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,33)(H,34,36);1-4,7-13,16-18,30H,5-6,14-15,29H2,(H,32,33)(H,34,36);2-8,11-18H,9-10,29H2,1H3,(H,31,32)(H,33,35);2-5,8-18H,6-7,29H2,1H3,(H,31,32)(H,33,35);1H4.
What are the key properties of N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane?
N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane has a molecular weight of 3628.51 g/mol, XLogP of 39.63, 58 rotatable bonds, 25 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[5-[5-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(1-cyclopropylethoxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methane is sourced from PubChem (CID 159056623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).