6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide

C189H182Cl2F3N35O11S6 — CID 159892480

IUPAC6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide
SMILESCOCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cc(-c5ccccc5)cn4C)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(Cl)c5)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(F)c5)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5Cl)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5F)n4)nc3c2)CC1.O=C(Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1)c1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/2C32H31ClN6O2S.2C32H31FN6O2S.C32H34N6O2S.C29H24FN5OS/c1-41-18-17-38-13-15-39(16-14-38)21-22-19-29-32(34-20-22)42-31(37-29)24-8-3-5-10-27(24)36-30(40)28-12-6-11-26(35-28)23-7-2-4-9-25(23)33;1-41-17-16-38-12-14-39(15-13-38)21-22-18-29-32(34-20-22)42-31(37-29)25-8-2-3-9-27(25)36-30(40)28-11-5-10-26(35-28)23-6-4-7-24(33)19-23;1-41-18-17-38-13-15-39(16-14-38)21-22-19-29-32(34-20-22)42-31(37-29)24-8-3-5-10-27(24)36-30(40)28-12-6-11-26(35-28)23-7-2-4-9-25(23)33;1-41-17-16-38-12-14-39(15-13-38)21-22-18-29-32(34-20-22)42-31(37-29)25-8-2-3-9-27(25)36-30(40)28-11-5-10-26(35-28)23-6-4-7-24(33)19-23;1-36-22-25(24-8-4-3-5-9-24)19-29(36)30(39)34-27-11-7-6-10-26(27)31-35-28-18-23(20-33-32(28)41-31)21-38-14-12-37(13-15-38)16-17-40-2;30-21-8-5-7-20(16-21)23-11-6-12-25(32-23)27(36)33-24-10-2-1-9-22(24)28-34-26-15-19(17-31-29(26)37-28)18-35-13-3-4-14-35/h2-12,19-20H,13-18,21H2,1H3,(H,36,40);2-11,18-20H,12-17,21H2,1H3,(H,36,40);2-12,19-20H,13-18,21H2,1H3,(H,36,40);2-11,18-20H,12-17,21H2,1H3,(H,36,40);3-11,18-20,22H,12-17,21H2,1-2H3,(H,34,39);1-2,5-12,15-17H,3-4,13-14,18H2,(H,33,36)
InChIKeyNUXXJLUXKBWEPF-UHFFFAOYSA-N
MW3440.07 g/mol
LogP35.12
Rot. Bonds51

About 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide

6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide (PubChem CID 159892480) has the molecular formula C189H182Cl2F3N35O11S6 and a molecular weight of 3440.07 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide
PubChem CID159892480
Molecular FormulaC189H182Cl2F3N35O11S6
Molecular Weight3440.07 g/mol
Exact Mass3436.24
IUPAC Name6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide
SMILESCOCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cc(-c5ccccc5)cn4C)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(Cl)c5)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(F)c5)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5Cl)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5F)n4)nc3c2)CC1.O=C(Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1)c1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/2C32H31ClN6O2S.2C32H31FN6O2S.C32H34N6O2S.C29H24FN5OS/c1-41-18-17-38-13-15-39(16-14-38)21-22-19-29-32(34-20-22)42-31(37-29)24-8-3-5-10-27(24)36-30(40)28-12-6-11-26(35-28)23-7-2-4-9-25(23)33;1-41-17-16-38-12-14-39(15-13-38)21-22-18-29-32(34-20-22)42-31(37-29)25-8-2-3-9-27(25)36-30(40)28-11-5-10-26(35-28)23-6-4-7-24(33)19-23;1-41-18-17-38-13-15-39(16-14-38)21-22-19-29-32(34-20-22)42-31(37-29)24-8-3-5-10-27(24)36-30(40)28-12-6-11-26(35-28)23-7-2-4-9-25(23)33;1-41-17-16-38-12-14-39(15-13-38)21-22-18-29-32(34-20-22)42-31(37-29)25-8-2-3-9-27(25)36-30(40)28-11-5-10-26(35-28)23-6-4-7-24(33)19-23;1-36-22-25(24-8-4-3-5-9-24)19-29(36)30(39)34-27-11-7-6-10-26(27)31-35-28-18-23(20-33-32(28)41-31)21-38-14-12-37(13-15-38)16-17-40-2;30-21-8-5-7-20(16-21)23-11-6-12-25(32-23)27(36)33-24-10-2-1-9-22(24)28-34-26-15-19(17-31-29(26)37-28)18-35-13-3-4-14-35/h2-12,19-20H,13-18,21H2,1H3,(H,36,40);2-11,18-20H,12-17,21H2,1H3,(H,36,40);2-12,19-20H,13-18,21H2,1H3,(H,36,40);2-11,18-20H,12-17,21H2,1H3,(H,36,40);3-11,18-20,22H,12-17,21H2,1-2H3,(H,34,39);1-2,5-12,15-17H,3-4,13-14,18H2,(H,33,36)
InChIKeyNUXXJLUXKBWEPF-UHFFFAOYSA-N
XLogP35.12
TPSA480.45 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds51
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003440.07
LogP ≤ 535.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide (CID 159892480) is 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide is COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cc(-c5ccccc5)cn4C)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(Cl)c5)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(F)c5)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5Cl)n4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5F)n4)nc3c2)CC1.O=C(Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1)c1cccc(-c2cccc(F)c2)n1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide?
The InChIKey is NUXXJLUXKBWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H31ClN6O2S.2C32H31FN6O2S.C32H34N6O2S.C29H24FN5OS/c1-41-18-17-38-13-15-39(16-14-38)21-22-19-29-32(34-20-22)42-31(37-29)24-8-3-5-10-27(24)36-30(40)28-12-6-11-26(35-28)23-7-2-4-9-25(23)33;1-41-17-16-38-12-14-39(15-13-38)21-22-18-29-32(34-20-22)42-31(37-29)25-8-2-3-9-27(25)36-30(40)28-11-5-10-26(35-28)23-6-4-7-24(33)19-23;1-41-18-17-38-13-15-39(16-14-38)21-22-19-29-32(34-20-22)42-31(37-29)24-8-3-5-10-27(24)36-30(40)28-12-6-11-26(35-28)23-7-2-4-9-25(23)33;1-41-17-16-38-12-14-39(15-13-38)21-22-18-29-32(34-20-22)42-31(37-29)25-8-2-3-9-27(25)36-30(40)28-11-5-10-26(35-28)23-6-4-7-24(33)19-23;1-36-22-25(24-8-4-3-5-9-24)19-29(36)30(39)34-27-11-7-6-10-26(27)31-35-28-18-23(20-33-32(28)41-31)21-38-14-12-37(13-15-38)16-17-40-2;30-21-8-5-7-20(16-21)23-11-6-12-25(32-23)27(36)33-24-10-2-1-9-22(24)28-34-26-15-19(17-31-29(26)37-28)18-35-13-3-4-14-35/h2-12,19-20H,13-18,21H2,1H3,(H,36,40);2-11,18-20H,12-17,21H2,1H3,(H,36,40);2-12,19-20H,13-18,21H2,1H3,(H,36,40);2-11,18-20H,12-17,21H2,1H3,(H,36,40);3-11,18-20,22H,12-17,21H2,1-2H3,(H,34,39);1-2,5-12,15-17H,3-4,13-14,18H2,(H,33,36).
What are the key properties of 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide?
6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide has a molecular weight of 3440.07 g/mol, XLogP of 35.12, 51 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-chlorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(2-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-methyl-4-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 159892480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).