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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C118H118N44OS6 — CID 159869291

About 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 159869291) has the molecular formula C118H118N44OS6 and a molecular weight of 2360.95 g/mol. Its IUPAC name is 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 159869291
• Molecular Formula: C118H118N44OS6
• Molecular Weight: 2360.95 g/mol
• Exact Mass: 2358.89
• IUPAC Name: 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CN1CCCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.CN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1cc(-c2ccc3nc(Nc4cc(N5CCNCC5)ccn4)sc3n2)ccn1.c1cc(-c2ccc3nc(Nc4cc(N5CCOCC5)ccn4)sc3n2)ccn1.c1cc(N2CCNCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1
• InChI: InChI=1S/C21H21N7S.C20H22N8S.C20H19N7S.C20H18N6OS.C19H20N8S.C18H18N8S/c1-27-10-12-28(13-11-27)16-6-9-23-19(14-16)26-21-25-18-3-2-17(24-20(18)29-21)15-4-7-22-8-5-15;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;1-2-17-19(24-16(1)14-3-6-21-7-4-14)28-20(25-17)26-18-13-15(5-8-23-18)27-11-9-22-10-12-27;1-2-17-19(23-16(1)14-3-6-21-7-4-14)28-20(24-17)25-18-13-15(5-8-22-18)26-9-11-27-12-10-26;1-26-6-8-27(9-7-26)14-4-5-20-17(10-14)25-19-24-16-3-2-15(23-18(16)28-19)13-11-21-22-12-13;1-2-15-17(23-14(1)12-10-21-22-11-12)27-18(24-15)25-16-9-13(3-4-20-16)26-7-5-19-6-8-26/h2-9,14H,10-13H2,1H3,(H,23,25,26);3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,21,25,26);1-8,13,22H,9-12H2,(H,23,25,26);1-8,13H,9-12H2,(H,22,24,25);2-5,10-12H,6-9H2,1H3,(H,21,22)(H,20,24,25);1-4,9-11,19H,5-8H2,(H,21,22)(H,20,24,25)
• InChIKey: NSDAQYRKTKRCAS-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 491.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.95
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 159869291) is 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CN1CCCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.CN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.CN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1cc(-c2ccc3nc(Nc4cc(N5CCNCC5)ccn4)sc3n2)ccn1.c1cc(-c2ccc3nc(Nc4cc(N5CCOCC5)ccn4)sc3n2)ccn1.c1cc(N2CCNCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1.

What is the InChIKey of 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is NSDAQYRKTKRCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7S.C20H22N8S.C20H19N7S.C20H18N6OS.C19H20N8S.C18H18N8S/c1-27-10-12-28(13-11-27)16-6-9-23-19(14-16)26-21-25-18-3-2-17(24-20(18)29-21)15-4-7-22-8-5-15;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;1-2-17-19(24-16(1)14-3-6-21-7-4-14)28-20(25-17)26-18-13-15(5-8-23-18)27-11-9-22-10-12-27;1-2-17-19(23-16(1)14-3-6-21-7-4-14)28-20(24-17)25-18-13-15(5-8-22-18)26-9-11-27-12-10-26;1-26-6-8-27(9-7-26)14-4-5-20-17(10-14)25-19-24-16-3-2-15(23-18(16)28-19)13-11-21-22-12-13;1-2-15-17(23-14(1)12-10-21-22-11-12)27-18(24-15)25-16-9-13(3-4-20-16)26-7-5-19-6-8-26/h2-9,14H,10-13H2,1H3,(H,23,25,26);3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,21,25,26);1-8,13,22H,9-12H2,(H,23,25,26);1-8,13H,9-12H2,(H,22,24,25);2-5,10-12H,6-9H2,1H3,(H,21,22)(H,20,24,25);1-4,9-11,19H,5-8H2,(H,21,22)(H,20,24,25).

What are the key properties of 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 2360.95 g/mol, XLogP of 19.64, 24 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-piperazin-1-yl-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 159869291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).