N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C111H114N46O5S7 — CID 161474129

IUPACN-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCN(C)CCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CNCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.CS(=O)(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2n1.NCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.O=C(CO)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C23H27N9OS.C20H20N8O2S.C19H20N8O2S2.C18H19N7S.C16H15N7S.C15H13N7S/c1-30(2)8-6-21(33)32-11-9-31(10-12-32)17-5-7-24-20(13-17)29-23-28-19-4-3-18(27-22(19)34-23)16-14-25-26-15-16;29-12-18(30)28-7-5-27(6-8-28)14-3-4-21-17(9-14)26-20-25-16-2-1-15(24-19(16)31-20)13-10-22-23-11-13;1-31(28,29)27-8-6-26(7-9-27)14-4-5-20-17(10-14)25-19-24-16-3-2-15(23-18(16)30-19)13-11-21-22-12-13;1-11-13(9-20-24-11)14-4-5-15-17(21-14)26-18(22-15)23-16-8-12(6-7-19-16)10-25(2)3;1-17-7-10-4-5-18-14(6-10)23-16-22-13-3-2-12(21-15(13)24-16)11-8-19-20-9-11;16-6-9-3-4-17-13(5-9)22-15-21-12-2-1-11(20-14(12)23-15)10-7-18-19-8-10/h3-5,7,13-15H,6,8-12H2,1-2H3,(H,25,26)(H,24,28,29);1-4,9-11,29H,5-8,12H2,(H,22,23)(H,21,25,26);2-5,10-12H,6-9H2,1H3,(H,21,22)(H,20,24,25);4-9H,10H2,1-3H3,(H,20,24)(H,19,22,23);2-6,8-9,17H,7H2,1H3,(H,19,20)(H,18,22,23);1-5,7-8H,6,16H2,(H,18,19)(H,17,21,22)
InChIKeyWDMJCABPZDNTTP-UHFFFAOYSA-N
MW2396.92 g/mol
LogP16.19
Rot. Bonds31

About N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 161474129) has the molecular formula C111H114N46O5S7 and a molecular weight of 2396.92 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID161474129
Molecular FormulaC111H114N46O5S7
Molecular Weight2396.92 g/mol
Exact Mass2394.81
IUPAC NameN-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCN(C)CCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CNCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.CS(=O)(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2n1.NCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.O=C(CO)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C23H27N9OS.C20H20N8O2S.C19H20N8O2S2.C18H19N7S.C16H15N7S.C15H13N7S/c1-30(2)8-6-21(33)32-11-9-31(10-12-32)17-5-7-24-20(13-17)29-23-28-19-4-3-18(27-22(19)34-23)16-14-25-26-15-16;29-12-18(30)28-7-5-27(6-8-28)14-3-4-21-17(9-14)26-20-25-16-2-1-15(24-19(16)31-20)13-10-22-23-11-13;1-31(28,29)27-8-6-26(7-9-27)14-4-5-20-17(10-14)25-19-24-16-3-2-15(23-18(16)30-19)13-11-21-22-12-13;1-11-13(9-20-24-11)14-4-5-15-17(21-14)26-18(22-15)23-16-8-12(6-7-19-16)10-25(2)3;1-17-7-10-4-5-18-14(6-10)23-16-22-13-3-2-12(21-15(13)24-16)11-8-19-20-9-11;16-6-9-3-4-17-13(5-9)22-15-21-12-2-1-11(20-14(12)23-15)10-7-18-19-8-10/h3-5,7,13-15H,6,8-12H2,1-2H3,(H,25,26)(H,24,28,29);1-4,9-11,29H,5-8,12H2,(H,22,23)(H,21,25,26);2-5,10-12H,6-9H2,1H3,(H,21,22)(H,20,24,25);4-9H,10H2,1-3H3,(H,20,24)(H,19,22,23);2-6,8-9,17H,7H2,1H3,(H,19,20)(H,18,22,23);1-5,7-8H,6,16H2,(H,18,19)(H,17,21,22)
InChIKeyWDMJCABPZDNTTP-UHFFFAOYSA-N
XLogP16.19
TPSA628.76 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds31
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002396.92
LogP ≤ 516.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 158157575
N-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 159239916
N-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 161552644
N-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 163505270
(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
CID 163534337
5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 164058335
2-methoxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87945585
2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87945595
2-methoxy-1-[2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87945596
2-methoxy-1-[4-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 87945606
2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87945612
2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 87945636

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 161474129) is N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is CN(C)CCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CNCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.CS(=O)(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2n1.NCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.O=C(CO)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is WDMJCABPZDNTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9OS.C20H20N8O2S.C19H20N8O2S2.C18H19N7S.C16H15N7S.C15H13N7S/c1-30(2)8-6-21(33)32-11-9-31(10-12-32)17-5-7-24-20(13-17)29-23-28-19-4-3-18(27-22(19)34-23)16-14-25-26-15-16;29-12-18(30)28-7-5-27(6-8-28)14-3-4-21-17(9-14)26-20-25-16-2-1-15(24-19(16)31-20)13-10-22-23-11-13;1-31(28,29)27-8-6-26(7-9-27)14-4-5-20-17(10-14)25-19-24-16-3-2-15(23-18(16)30-19)13-11-21-22-12-13;1-11-13(9-20-24-11)14-4-5-15-17(21-14)26-18(22-15)23-16-8-12(6-7-19-16)10-25(2)3;1-17-7-10-4-5-18-14(6-10)23-16-22-13-3-2-12(21-15(13)24-16)11-8-19-20-9-11;16-6-9-3-4-17-13(5-9)22-15-21-12-2-1-11(20-14(12)23-15)10-7-18-19-8-10/h3-5,7,13-15H,6,8-12H2,1-2H3,(H,25,26)(H,24,28,29);1-4,9-11,29H,5-8,12H2,(H,22,23)(H,21,25,26);2-5,10-12H,6-9H2,1H3,(H,21,22)(H,20,24,25);4-9H,10H2,1-3H3,(H,20,24)(H,19,22,23);2-6,8-9,17H,7H2,1H3,(H,19,20)(H,18,22,23);1-5,7-8H,6,16H2,(H,18,19)(H,17,21,22).
What are the key properties of N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 2396.92 g/mol, XLogP of 16.19, 31 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 161474129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).