5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C117H139FN36O11S7 — CID 159096639

About 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 159096639) has the molecular formula C117H139FN36O11S7 and a molecular weight of 2469.11 g/mol. Its IUPAC name is 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
• PubChem CID: 159096639
• Molecular Formula: C117H139FN36O11S7
• Molecular Weight: 2469.11 g/mol
• Exact Mass: 2466.95
• IUPAC Name: 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
• SMILES: C=C(Cn1cccn1)C(=O)N1CCC(Sc2cc(N3CCOCC3)cc(Nc3ncc(C#N)s3)n2)CC1.C=CC(=O)N1CCCC(OCc2cc(N3CCOCC3)cc(Nc3ncc(C#N)s3)n2)C1.CN(CCCSc1cc(N2CCOCC2)cc(Nc2ncc(C#N)s2)n1)c1s[nH]c(=O)c1C#N.Cc1cc(C)n(C(=O)CCCCCCc2cc(N3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)n1.Cc1cc(Nc2cc(N3CCOCC3)cc(SC3CCN(C(=O)c4cnccc4F)CC3)n2)n[nH]1
• InChI: InChI=1S/C25H28N8O2S2.C25H35N7O2.C24H28FN7O2S.C22H26N6O3S.C21H22N8O2S3/c1-18(17-33-6-2-5-28-33)24(34)32-7-3-20(4-8-32)36-23-14-19(31-9-11-35-12-10-31)13-22(29-23)30-25-27-16-21(15-26)37-25;1-18-15-24(29-28-18)27-23-17-22(31-10-12-34-13-11-31)16-21(26-23)8-6-4-5-7-9-25(33)32-20(3)14-19(2)30-32;1-16-12-22(30-29-16)27-21-13-17(31-8-10-34-11-9-31)14-23(28-21)35-18-3-6-32(7-4-18)24(33)19-15-26-5-2-20(19)25;1-2-21(29)28-5-3-4-18(14-28)31-15-16-10-17(27-6-8-30-9-7-27)11-20(25-16)26-22-24-13-19(12-23)32-22;1-28(20-16(12-23)19(30)27-34-20)3-2-8-32-18-10-14(29-4-6-31-7-5-29)9-17(25-18)26-21-24-13-15(11-22)33-21/h2,5-6,13-14,16,20H,1,3-4,7-12,17H2,(H,27,29,30);14-17H,4-13H2,1-3H3,(H2,26,27,28,29);2,5,12-15,18H,3-4,6-11H2,1H3,(H2,27,28,29,30);2,10-11,13,18H,1,3-9,14-15H2,(H,24,25,26);9-10,13H,2-8H2,1H3,(H,27,30)(H,24,25,26)
• InChIKey: KCTHZJPESRALQX-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 550.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 40
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2469.11
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

The IUPAC name of 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 159096639) is 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is C=C(Cn1cccn1)C(=O)N1CCC(Sc2cc(N3CCOCC3)cc(Nc3ncc(C#N)s3)n2)CC1.C=CC(=O)N1CCCC(OCc2cc(N3CCOCC3)cc(Nc3ncc(C#N)s3)n2)C1.CN(CCCSc1cc(N2CCOCC2)cc(Nc2ncc(C#N)s2)n1)c1s[nH]c(=O)c1C#N.Cc1cc(C)n(C(=O)CCCCCCc2cc(N3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)n1.Cc1cc(Nc2cc(N3CCOCC3)cc(SC3CCN(C(=O)c4cnccc4F)CC3)n2)n[nH]1.

What is the InChIKey of 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

The InChIKey is KCTHZJPESRALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S2.C25H35N7O2.C24H28FN7O2S.C22H26N6O3S.C21H22N8O2S3/c1-18(17-33-6-2-5-28-33)24(34)32-7-3-20(4-8-32)36-23-14-19(31-9-11-35-12-10-31)13-22(29-23)30-25-27-16-21(15-26)37-25;1-18-15-24(29-28-18)27-23-17-22(31-10-12-34-13-11-31)16-21(26-23)8-6-4-5-7-9-25(33)32-20(3)14-19(2)30-32;1-16-12-22(30-29-16)27-21-13-17(31-8-10-34-11-9-31)14-23(28-21)35-18-3-6-32(7-4-18)24(33)19-15-26-5-2-20(19)25;1-2-21(29)28-5-3-4-18(14-28)31-15-16-10-17(27-6-8-30-9-7-27)11-20(25-16)26-22-24-13-19(12-23)32-22;1-28(20-16(12-23)19(30)27-34-20)3-2-8-32-18-10-14(29-4-6-31-7-5-29)9-17(25-18)26-21-24-13-15(11-22)33-21/h2,5-6,13-14,16,20H,1,3-4,7-12,17H2,(H,27,29,30);14-17H,4-13H2,1-3H3,(H2,26,27,28,29);2,5,12-15,18H,3-4,6-11H2,1H3,(H2,27,28,29,30);2,10-11,13,18H,1,3-9,14-15H2,(H,24,25,26);9-10,13H,2-8H2,1H3,(H,27,30)(H,24,25,26).

What are the key properties of 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 2469.11 g/mol, XLogP of 17.40, 40 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]propyl-methylamino]-3-oxo-1,2-thiazole-4-carbonitrile;1-(3,5-dimethylpyrazol-1-yl)-7-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]heptan-1-one;(4-fluoro-3-pyridinyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-yl-2-pyridinyl]sulfanyl]piperidin-1-yl]methanone;2-[[4-morpholin-4-yl-6-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile;2-[[4-morpholin-4-yl-6-[1-[2-(pyrazol-1-ylmethyl)prop-2-enoyl]piperidin-4-yl]sulfanyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 159096639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).