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

C126H127F3N38O6S7 — CID 159239916

About 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

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 (PubChem CID 159239916) has the molecular formula C126H127F3N38O6S7 and a molecular weight of 2551.12 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159239916
• Molecular Formula: C126H127F3N38O6S7
• Molecular Weight: 2551.12 g/mol
• Exact Mass: 2548.88
• IUPAC Name: 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
• SMILES: CC(C)OCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.CO[C@@H]1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)C1.CO[C@H]1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)C1.CS(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.Cc1[nH]ncc1-c1ccc2nc(Nc3cc(COC(C)C)ccn3)sc2n1.FC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
• InChI: InChI=1S/C22H23N7O2S2.2C22H22N6OS.C21H21F3N8S.C20H19N5OS.C19H20N6OS/c1-33(30,31)29-12-10-28(11-13-29)15-16-4-9-24-20(14-16)27-22-26-19-3-2-18(25-21(19)32-22)17-5-7-23-8-6-17;2*1-29-17-7-11-28(14-17)13-15-4-10-24-20(12-15)27-22-26-19-3-2-18(25-21(19)30-22)16-5-8-23-9-6-16;22-21(23,24)4-6-31-7-9-32(10-8-31)15-3-5-25-18(11-15)30-20-29-17-2-1-16(28-19(17)33-20)14-12-26-27-13-14;1-13(2)26-12-14-5-10-22-18(11-14)25-20-24-17-4-3-16(23-19(17)27-20)15-6-8-21-9-7-15;1-11(2)26-10-13-6-7-20-17(8-13)24-19-23-16-5-4-15(22-18(16)27-19)14-9-21-25-12(14)3/h2-9,14H,10-13,15H2,1H3,(H,24,26,27);2*2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,24,26,27);1-3,5,11-13H,4,6-10H2,(H,26,27)(H,25,29,30);3-11,13H,12H2,1-2H3,(H,22,24,25);4-9,11H,10H2,1-3H3,(H,21,25)(H,20,23,24)/t;2*17-;;;/m.10.../s1
• InChIKey: KTYJAJTVZQFRQH-WZIPRJNTSA-N
• XLogP: 24.76
• TPSA: 503.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 36
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.12
LogP ≤ 5	24.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)OCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.CO[C@@H]1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)C1.CO[C@H]1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)C1.CS(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.Cc1[nH]ncc1-c1ccc2nc(Nc3cc(COC(C)C)ccn3)sc2n1.FC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.

What is the InChIKey of 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?

The InChIKey is KTYJAJTVZQFRQH-WZIPRJNTSA-N. The full InChI is InChI=1S/C22H23N7O2S2.2C22H22N6OS.C21H21F3N8S.C20H19N5OS.C19H20N6OS/c1-33(30,31)29-12-10-28(11-13-29)15-16-4-9-24-20(14-16)27-22-26-19-3-2-18(25-21(19)32-22)17-5-7-23-8-6-17;2*1-29-17-7-11-28(14-17)13-15-4-10-24-20(12-15)27-22-26-19-3-2-18(25-21(19)30-22)16-5-8-23-9-6-16;22-21(23,24)4-6-31-7-9-32(10-8-31)15-3-5-25-18(11-15)30-20-29-17-2-1-16(28-19(17)33-20)14-12-26-27-13-14;1-13(2)26-12-14-5-10-22-18(11-14)25-20-24-17-4-3-16(23-19(17)27-20)15-6-8-21-9-7-15;1-11(2)26-10-13-6-7-20-17(8-13)24-19-23-16-5-4-15(22-18(16)27-19)14-9-21-25-12(14)3/h2-9,14H,10-13,15H2,1H3,(H,24,26,27);2*2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,24,26,27);1-3,5,11-13H,4,6-10H2,(H,26,27)(H,25,29,30);3-11,13H,12H2,1-2H3,(H,22,24,25);4-9,11H,10H2,1-3H3,(H,21,25)(H,20,23,24)/t;2*17-;;;/m.10.../s1.

What are the key properties of 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?

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 has a molecular weight of 2551.12 g/mol, XLogP of 24.76, 36 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159239916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).