N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile

C129H133N49O4S6 — CID 163488576

IUPACN-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile
SMILESCN(C)CC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CN1CCCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.N#Cc1ncc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)cn1.OCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1ccc(CN2CCN(c3ccnc(Nc4nc5ccc(-c6cn[nH]c6)nc5s4)c3)CC2)cc1
InChIInChI=1S/C25H24N8S.C22H25N9OS.C21H22N8O2S.C21H18N8S.C20H22N8OS.C20H22N8S/c1-2-4-18(5-3-1)17-32-10-12-33(13-11-32)20-8-9-26-23(14-20)31-25-30-22-7-6-21(29-24(22)34-25)19-15-27-28-16-19;1-29(2)14-20(32)31-9-7-30(8-10-31)16-5-6-23-19(11-16)28-22-27-18-4-3-17(26-21(18)33-22)15-12-24-25-13-15;1-31-13-19(30)29-8-6-28(7-9-29)15-4-5-22-18(10-15)27-21-26-17-3-2-16(25-20(17)32-21)14-11-23-24-12-14;22-10-19-24-11-15(12-25-19)16-3-4-17-20(26-16)30-21(27-17)28-18-9-14(5-6-23-18)13-29-7-1-2-8-29;29-10-9-27-5-7-28(8-6-27)15-3-4-21-18(11-15)26-20-25-17-2-1-16(24-19(17)30-20)14-12-22-23-13-14;1-27-7-2-8-28(10-9-27)15-5-6-21-18(11-15)26-20-25-17-4-3-16(24-19(17)29-20)14-12-22-23-13-14/h1-9,14-16H,10-13,17H2,(H,27,28)(H,26,30,31);3-6,11-13H,7-10,14H2,1-2H3,(H,24,25)(H,23,27,28);2-5,10-12H,6-9,13H2,1H3,(H,23,24)(H,22,26,27);3-6,9,11-12H,1-2,7-8,13H2,(H,23,27,28);1-4,11-13,29H,5-10H2,(H,22,23)(H,21,25,26);3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,21,25,26)
InChIKeyCKQNUEVDGBSDHA-UHFFFAOYSA-N
MW2626.22 g/mol
LogP18.94
Rot. Bonds33

About N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile

N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile (PubChem CID 163488576) has the molecular formula C129H133N49O4S6 and a molecular weight of 2626.22 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile
PubChem CID163488576
Molecular FormulaC129H133N49O4S6
Molecular Weight2626.22 g/mol
Exact Mass2624.00
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile
SMILESCN(C)CC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CN1CCCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.N#Cc1ncc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)cn1.OCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1ccc(CN2CCN(c3ccnc(Nc4nc5ccc(-c6cn[nH]c6)nc5s4)c3)CC2)cc1
InChIInChI=1S/C25H24N8S.C22H25N9OS.C21H22N8O2S.C21H18N8S.C20H22N8OS.C20H22N8S/c1-2-4-18(5-3-1)17-32-10-12-33(13-11-32)20-8-9-26-23(14-20)31-25-30-22-7-6-21(29-24(22)34-25)19-15-27-28-16-19;1-29(2)14-20(32)31-9-7-30(8-10-31)16-5-6-23-19(11-16)28-22-27-18-4-3-17(26-21(18)33-22)15-12-24-25-13-15;1-31-13-19(30)29-8-6-28(7-9-29)15-4-5-22-18(10-15)27-21-26-17-3-2-16(25-20(17)32-21)14-11-23-24-12-14;22-10-19-24-11-15(12-25-19)16-3-4-17-20(26-16)30-21(27-17)28-18-9-14(5-6-23-18)13-29-7-1-2-8-29;29-10-9-27-5-7-28(8-6-27)15-3-4-21-18(11-15)26-20-25-17-2-1-16(24-19(17)30-20)14-12-22-23-13-14;1-27-7-2-8-28(10-9-27)15-5-6-21-18(11-15)26-20-25-17-4-3-16(24-19(17)29-20)14-12-22-23-13-14/h1-9,14-16H,10-13,17H2,(H,27,28)(H,26,30,31);3-6,11-13H,7-10,14H2,1-2H3,(H,24,25)(H,23,27,28);2-5,10-12H,6-9,13H2,1H3,(H,23,24)(H,22,26,27);3-6,9,11-12H,1-2,7-8,13H2,(H,23,27,28);1-4,11-13,29H,5-10H2,(H,22,23)(H,21,25,26);3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,21,25,26)
InChIKeyCKQNUEVDGBSDHA-UHFFFAOYSA-N
XLogP18.94
TPSA599.65 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds33
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002626.22
LogP ≤ 518.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Analyze N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile (CID 163488576) is N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile is CN(C)CC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CN1CCCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.N#Cc1ncc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)cn1.OCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1ccc(CN2CCN(c3ccnc(Nc4nc5ccc(-c6cn[nH]c6)nc5s4)c3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile?
The InChIKey is CKQNUEVDGBSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8S.C22H25N9OS.C21H22N8O2S.C21H18N8S.C20H22N8OS.C20H22N8S/c1-2-4-18(5-3-1)17-32-10-12-33(13-11-32)20-8-9-26-23(14-20)31-25-30-22-7-6-21(29-24(22)34-25)19-15-27-28-16-19;1-29(2)14-20(32)31-9-7-30(8-10-31)16-5-6-23-19(11-16)28-22-27-18-4-3-17(26-21(18)33-22)15-12-24-25-13-15;1-31-13-19(30)29-8-6-28(7-9-29)15-4-5-22-18(10-15)27-21-26-17-3-2-16(25-20(17)32-21)14-11-23-24-12-14;22-10-19-24-11-15(12-25-19)16-3-4-17-20(26-16)30-21(27-17)28-18-9-14(5-6-23-18)13-29-7-1-2-8-29;29-10-9-27-5-7-28(8-6-27)15-3-4-21-18(11-15)26-20-25-17-2-1-16(24-19(17)30-20)14-12-22-23-13-14;1-27-7-2-8-28(10-9-27)15-5-6-21-18(11-15)26-20-25-17-4-3-16(24-19(17)29-20)14-12-22-23-13-14/h1-9,14-16H,10-13,17H2,(H,27,28)(H,26,30,31);3-6,11-13H,7-10,14H2,1-2H3,(H,24,25)(H,23,27,28);2-5,10-12H,6-9,13H2,1H3,(H,23,24)(H,22,26,27);3-6,9,11-12H,1-2,7-8,13H2,(H,23,27,28);1-4,11-13,29H,5-10H2,(H,22,23)(H,21,25,26);3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,21,25,26).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile?
N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile has a molecular weight of 2626.22 g/mol, XLogP of 18.94, 33 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-(dimethylamino)-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;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;N-[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanol;5-[2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 163488576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).