2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C126H145N35O9S4 — CID 160755850

About 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 160755850) has the molecular formula C126H145N35O9S4 and a molecular weight of 2422.05 g/mol. Its IUPAC name is 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 160755850
• Molecular Formula: C126H145N35O9S4
• Molecular Weight: 2422.05 g/mol
• Exact Mass: 2420.08
• IUPAC Name: 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCn1nc2nc(C)c(N3CC4(CN(C(=O)C5(O)CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCn1nc2nc(C)c(N3CCC4(CC3)CN(C(=O)N3CC(O)C3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCn1nc2nc(C)c(N3CCC4(CN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCn1nc2nc(C)c(N3CCN(CC(=O)N4CC[C@@H](O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
• InChI: InChI=1S/C32H37N9O2S.C32H36N8O3S.C31H35N9O2S.C31H37N9O2S/c1-5-41-29(37(4)30-35-27(26(15-33)44-30)22-8-6-20(2)7-9-22)24-14-25(21(3)34-28(24)36-41)38-12-10-32(11-13-38)18-40(19-32)31(43)39-16-23(42)17-39;1-5-40-28(37(4)30-35-26(25(15-33)44-30)22-8-6-20(2)7-9-22)23-14-24(21(3)34-27(23)36-40)38-16-31(17-38)18-39(19-31)29(41)32(42)10-12-43-13-11-32;1-5-40-28(36(4)29-34-26(25(13-32)43-29)21-8-6-19(2)7-9-21)23-12-24(20(3)33-27(23)35-40)37-11-10-31(16-37)17-39(18-31)30(42)38-14-22(41)15-38;1-5-40-30(36(4)31-34-28(26(17-32)43-31)22-8-6-20(2)7-9-22)24-16-25(21(3)33-29(24)35-40)38-14-12-37(13-15-38)19-27(42)39-11-10-23(41)18-39/h6-9,14,23,42H,5,10-13,16-19H2,1-4H3;6-9,14,42H,5,10-13,16-19H2,1-4H3;6-9,12,22,41H,5,10-11,14-18H2,1-4H3;6-9,16,23,41H,5,10-15,18-19H2,1-4H3/t;;;23-/m...1/s1
• InChIKey: RXKNSKMBTGMNQZ-TYIZLUDLSA-N
• XLogP: 16.24
• TPSA: 476.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.05
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 160755850) is 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is CCn1nc2nc(C)c(N3CC4(CN(C(=O)C5(O)CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCn1nc2nc(C)c(N3CCC4(CC3)CN(C(=O)N3CC(O)C3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCn1nc2nc(C)c(N3CCC4(CN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCn1nc2nc(C)c(N3CCN(CC(=O)N4CC[C@@H](O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is RXKNSKMBTGMNQZ-TYIZLUDLSA-N. The full InChI is InChI=1S/C32H37N9O2S.C32H36N8O3S.C31H35N9O2S.C31H37N9O2S/c1-5-41-29(37(4)30-35-27(26(15-33)44-30)22-8-6-20(2)7-9-22)24-14-25(21(3)34-28(24)36-41)38-12-10-32(11-13-38)18-40(19-32)31(43)39-16-23(42)17-39;1-5-40-28(37(4)30-35-26(25(15-33)44-30)22-8-6-20(2)7-9-22)23-14-24(21(3)34-27(23)36-40)38-16-31(17-38)18-39(19-31)29(41)32(42)10-12-43-13-11-32;1-5-40-28(36(4)29-34-26(25(13-32)43-29)21-8-6-19(2)7-9-21)23-12-24(20(3)33-27(23)35-40)37-11-10-31(16-37)17-39(18-31)30(42)38-14-22(41)15-38;1-5-40-30(36(4)31-34-28(26(17-32)43-31)22-8-6-20(2)7-9-22)24-16-25(21(3)33-29(24)35-40)38-14-12-37(13-15-38)19-27(42)39-11-10-23(41)18-39/h6-9,14,23,42H,5,10-13,16-19H2,1-4H3;6-9,14,42H,5,10-13,16-19H2,1-4H3;6-9,12,22,41H,5,10-11,14-18H2,1-4H3;6-9,16,23,41H,5,10-15,18-19H2,1-4H3/t;;;23-/m...1/s1.

What are the key properties of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 2422.05 g/mol, XLogP of 16.24, 23 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 160755850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).