4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C105H118N36O6S6 — CID 158437101

About 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 158437101) has the molecular formula C105H118N36O6S6 and a molecular weight of 2172.75 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 158437101
• Molecular Formula: C105H118N36O6S6
• Molecular Weight: 2172.75 g/mol
• Exact Mass: 2170.84
• IUPAC Name: 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: COCCC1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1.COCCN(C)c1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.COCCN(C)c1ccnc(Nc2nc3ccc(-c4cn[nH]c4C)nc3s2)c1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)[C@H](C)C1.C[C@H]1CN(S(C)(=O)=O)CCN1c1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1
• InChI: InChI=1S/C23H28N8OS.C23H27N7OS.C22H23N7O2S2.C19H21N7OS.C18H19N7OS/c1-15-14-30(10-11-32-3)8-9-31(15)17-6-7-24-21(12-17)28-23-27-20-5-4-19(26-22(20)33-23)18-13-25-29-16(18)2;1-15-18(14-25-29-15)19-3-4-20-22(26-19)32-23(27-20)28-21-13-17(5-9-24-21)30-10-6-16(7-11-30)8-12-31-2;1-15-14-28(33(2,30)31)11-12-29(15)17-7-10-24-20(13-17)27-22-26-19-4-3-18(25-21(19)32-22)16-5-8-23-9-6-16;1-12-14(11-21-25-12)15-4-5-16-18(22-15)28-19(23-16)24-17-10-13(6-7-20-17)26(2)8-9-27-3;1-25(7-8-26-2)13-5-6-19-16(9-13)24-18-23-15-4-3-14(22-17(15)27-18)12-10-20-21-11-12/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28);3-5,9,13-14,16H,6-8,10-12H2,1-2H3,(H,25,29)(H,24,27,28);3-10,13,15H,11-12,14H2,1-2H3,(H,24,26,27);4-7,10-11H,8-9H2,1-3H3,(H,21,25)(H,20,23,24);3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,19,23,24)/t15-;;15-;;/m1.0../s1
• InChIKey: HCJBMRCVHKBDRT-TZHPBCOASA-N
• XLogP: 18.74
• TPSA: 474.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.75
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 158437101) is 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCCC1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1.COCCN(C)c1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.COCCN(C)c1ccnc(Nc2nc3ccc(-c4cn[nH]c4C)nc3s2)c1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)[C@H](C)C1.C[C@H]1CN(S(C)(=O)=O)CCN1c1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.

What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is HCJBMRCVHKBDRT-TZHPBCOASA-N. The full InChI is InChI=1S/C23H28N8OS.C23H27N7OS.C22H23N7O2S2.C19H21N7OS.C18H19N7OS/c1-15-14-30(10-11-32-3)8-9-31(15)17-6-7-24-21(12-17)28-23-27-20-5-4-19(26-22(20)33-23)18-13-25-29-16(18)2;1-15-18(14-25-29-15)19-3-4-20-22(26-19)32-23(27-20)28-21-13-17(5-9-24-21)30-10-6-16(7-11-30)8-12-31-2;1-15-14-28(33(2,30)31)11-12-29(15)17-7-10-24-20(13-17)27-22-26-19-4-3-18(25-21(19)32-22)16-5-8-23-9-6-16;1-12-14(11-21-25-12)15-4-5-16-18(22-15)28-19(23-16)24-17-10-13(6-7-20-17)26(2)8-9-27-3;1-25(7-8-26-2)13-5-6-19-16(9-13)24-18-23-15-4-3-14(22-17(15)27-18)12-10-20-21-11-12/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28);3-5,9,13-14,16H,6-8,10-12H2,1-2H3,(H,25,29)(H,24,27,28);3-10,13,15H,11-12,14H2,1-2H3,(H,24,26,27);4-7,10-11H,8-9H2,1-3H3,(H,21,25)(H,20,23,24);3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,19,23,24)/t15-;;15-;;/m1.0../s1.

What are the key properties of 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 2172.75 g/mol, XLogP of 18.74, 33 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 158437101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).