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

C115H132N38O7S6 — CID 162065487

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

N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 162065487) has the molecular formula C115H132N38O7S6 and a molecular weight of 2350.98 g/mol. Its IUPAC name is N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-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: N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 162065487
• Molecular Formula: C115H132N38O7S6
• Molecular Weight: 2350.98 g/mol
• Exact Mass: 2348.95
• IUPAC Name: N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)[C@H](C)C1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)C[C@@H]1C.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@@H]1C.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@H]1C.C[C@@H]1CN(S(C)(=O)=O)CCN1c1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1
• InChI: InChI=1S/C24H27N7OS.C23H26N8O2S.2C23H28N8OS.C22H23N7O2S2/c1-17-16-31(12-11-30(17)13-14-32-2)19-7-10-26-22(15-19)29-24-28-21-4-3-20(27-23(21)33-24)18-5-8-25-9-6-18;1-14-12-30(21(32)13-33-3)8-9-31(14)16-6-7-24-20(10-16)28-23-27-19-5-4-18(26-22(19)34-23)17-11-25-29-15(17)2;2*1-15-14-31(9-8-30(15)10-11-32-3)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;1-15-14-28(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/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,28,29);4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,29)(H,24,27,28);2*4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28);3-10,13,15H,11-12,14H2,1-2H3,(H,24,26,27)/t17-;14-;3*15-/m01101/s1
• InChIKey: ZAKBVAQJNDFWID-WPVPNZOUSA-N
• XLogP: 17.99
• TPSA: 485.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 32
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.98
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-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 N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 162065487) is N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-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 N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-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 N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)[C@H](C)C1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)C[C@@H]1C.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@@H]1C.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@H]1C.C[C@@H]1CN(S(C)(=O)=O)CCN1c1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.

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

The InChIKey is ZAKBVAQJNDFWID-WPVPNZOUSA-N. The full InChI is InChI=1S/C24H27N7OS.C23H26N8O2S.2C23H28N8OS.C22H23N7O2S2/c1-17-16-31(12-11-30(17)13-14-32-2)19-7-10-26-22(15-19)29-24-28-21-4-3-20(27-23(21)33-24)18-5-8-25-9-6-18;1-14-12-30(21(32)13-33-3)8-9-31(14)16-6-7-24-20(10-16)28-23-27-19-5-4-18(26-22(19)34-23)17-11-25-29-15(17)2;2*1-15-14-31(9-8-30(15)10-11-32-3)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;1-15-14-28(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/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,28,29);4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,29)(H,24,27,28);2*4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28);3-10,13,15H,11-12,14H2,1-2H3,(H,24,26,27)/t17-;14-;3*15-/m01101/s1.

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

N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-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 2350.98 g/mol, XLogP of 17.99, 32 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-methoxy-1-[(3R)-3-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;N-[4-[(2R)-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 162065487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).