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

C203H191N53O11S7 — CID 157460921

IUPACN-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCN1CCN(C(=O)c2ccc3ncc(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)n3c2)CC1.CN1CCN(C(=O)c2cccc3ncc(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)n23)CC1.CN1CCN(C(=O)c2cccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc23)CC1.CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(N5Cc6ccccc6C5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(CNCC5CC5)cn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(CNCC5CC5)n34)cs2)cc1
InChIInChI=1S/C31H25N7OS.4C29H28N8O2S.2C28H27N7OS/c32-25-7-3-4-8-26(25)35-30(39)20-9-11-23(12-10-20)34-31-36-27(19-40-31)28-16-33-29-15-24(13-14-38(28)29)37-17-21-5-1-2-6-22(21)18-37;1-35-13-15-36(16-14-35)28(39)21-5-4-12-37-25(17-31-26(21)37)24-18-40-29(34-24)32-20-10-8-19(9-11-20)27(38)33-23-7-3-2-6-22(23)30;1-35-13-15-36(16-14-35)28(39)24-7-4-8-26-31-17-25(37(24)26)23-18-40-29(34-23)32-20-11-9-19(10-12-20)27(38)33-22-6-3-2-5-21(22)30;1-35-12-14-36(15-13-35)28(39)20-8-11-26-31-16-25(37(26)17-20)24-18-40-29(34-24)32-21-9-6-19(7-10-21)27(38)33-23-5-3-2-4-22(23)30;1-35-12-14-36(15-13-35)28(39)20-10-11-37-25(17-31-26(37)16-20)24-18-40-29(34-24)32-21-8-6-19(7-9-21)27(38)33-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)33-27(36)19-10-12-20(13-11-19)32-28-34-24(17-37-28)25-16-31-26-7-3-4-21(35(25)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)33-27(36)20-8-10-21(11-9-20)32-28-34-24(17-37-28)25-15-31-26-12-7-19(16-35(25)26)14-30-13-18-5-6-18/h1-16,19H,17-18,32H2,(H,34,36)(H,35,39);2*2-12,17-18H,13-16,30H2,1H3,(H,32,34)(H,33,38);2*2-11,16-18H,12-15,30H2,1H3,(H,32,34)(H,33,38);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,34)(H,33,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,34)(H,33,36)
InChIKeyBTXJSPOOKSHASM-UHFFFAOYSA-N
MW3773.59 g/mol
LogP35.32
Rot. Bonds48

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

N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 157460921) has the molecular formula C203H191N53O11S7 and a molecular weight of 3773.59 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID157460921
Molecular FormulaC203H191N53O11S7
Molecular Weight3773.59 g/mol
Exact Mass3770.41
IUPAC NameN-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCN1CCN(C(=O)c2ccc3ncc(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)n3c2)CC1.CN1CCN(C(=O)c2cccc3ncc(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)n23)CC1.CN1CCN(C(=O)c2cccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc23)CC1.CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(N5Cc6ccccc6C5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(CNCC5CC5)cn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(CNCC5CC5)n34)cs2)cc1
InChIInChI=1S/C31H25N7OS.4C29H28N8O2S.2C28H27N7OS/c32-25-7-3-4-8-26(25)35-30(39)20-9-11-23(12-10-20)34-31-36-27(19-40-31)28-16-33-29-15-24(13-14-38(28)29)37-17-21-5-1-2-6-22(21)18-37;1-35-13-15-36(16-14-35)28(39)21-5-4-12-37-25(17-31-26(21)37)24-18-40-29(34-24)32-20-10-8-19(9-11-20)27(38)33-23-7-3-2-6-22(23)30;1-35-13-15-36(16-14-35)28(39)24-7-4-8-26-31-17-25(37(24)26)23-18-40-29(34-23)32-20-11-9-19(10-12-20)27(38)33-22-6-3-2-5-21(22)30;1-35-12-14-36(15-13-35)28(39)20-8-11-26-31-16-25(37(26)17-20)24-18-40-29(34-24)32-21-9-6-19(7-10-21)27(38)33-23-5-3-2-4-22(23)30;1-35-12-14-36(15-13-35)28(39)20-10-11-37-25(17-31-26(37)16-20)24-18-40-29(34-24)32-21-8-6-19(7-9-21)27(38)33-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)33-27(36)19-10-12-20(13-11-19)32-28-34-24(17-37-28)25-16-31-26-7-3-4-21(35(25)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)33-27(36)20-8-10-21(11-9-20)32-28-34-24(17-37-28)25-15-31-26-12-7-19(16-35(25)26)14-30-13-18-5-6-18/h1-16,19H,17-18,32H2,(H,34,36)(H,35,39);2*2-12,17-18H,13-16,30H2,1H3,(H,32,34)(H,33,38);2*2-11,16-18H,12-15,30H2,1H3,(H,32,34)(H,33,38);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,34)(H,33,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,34)(H,33,36)
InChIKeyBTXJSPOOKSHASM-UHFFFAOYSA-N
XLogP35.32
TPSA802.88 Ų
H-Bond Donors23
H-Bond Acceptors60
Rotatable Bonds48
Heavy Atoms274
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003773.59
LogP ≤ 535.32
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 157460921) is N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is CN1CCN(C(=O)c2ccc3ncc(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)n3c2)CC1.CN1CCN(C(=O)c2cccc3ncc(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)n23)CC1.CN1CCN(C(=O)c2cccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc23)CC1.CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(N5Cc6ccccc6C5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(CNCC5CC5)cn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(CNCC5CC5)n34)cs2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is BTXJSPOOKSHASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N7OS.4C29H28N8O2S.2C28H27N7OS/c32-25-7-3-4-8-26(25)35-30(39)20-9-11-23(12-10-20)34-31-36-27(19-40-31)28-16-33-29-15-24(13-14-38(28)29)37-17-21-5-1-2-6-22(21)18-37;1-35-13-15-36(16-14-35)28(39)21-5-4-12-37-25(17-31-26(21)37)24-18-40-29(34-24)32-20-10-8-19(9-11-20)27(38)33-23-7-3-2-6-22(23)30;1-35-13-15-36(16-14-35)28(39)24-7-4-8-26-31-17-25(37(24)26)23-18-40-29(34-23)32-20-11-9-19(10-12-20)27(38)33-22-6-3-2-5-21(22)30;1-35-12-14-36(15-13-35)28(39)20-8-11-26-31-16-25(37(26)17-20)24-18-40-29(34-24)32-21-9-6-19(7-10-21)27(38)33-23-5-3-2-4-22(23)30;1-35-12-14-36(15-13-35)28(39)20-10-11-37-25(17-31-26(37)16-20)24-18-40-29(34-24)32-21-8-6-19(7-9-21)27(38)33-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)33-27(36)19-10-12-20(13-11-19)32-28-34-24(17-37-28)25-16-31-26-7-3-4-21(35(25)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)33-27(36)20-8-10-21(11-9-20)32-28-34-24(17-37-28)25-15-31-26-12-7-19(16-35(25)26)14-30-13-18-5-6-18/h1-16,19H,17-18,32H2,(H,34,36)(H,35,39);2*2-12,17-18H,13-16,30H2,1H3,(H,32,34)(H,33,38);2*2-11,16-18H,12-15,30H2,1H3,(H,32,34)(H,33,38);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,34)(H,33,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,34)(H,33,36).
What are the key properties of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 3773.59 g/mol, XLogP of 35.32, 48 rotatable bonds, 23 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 157460921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).