6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide

C107H111F4N31O15 — CID 157390107

About 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide

6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 157390107) has the molecular formula C107H111F4N31O15 and a molecular weight of 2147.26 g/mol. Its IUPAC name is 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide
• PubChem CID: 157390107
• Molecular Formula: C107H111F4N31O15
• Molecular Weight: 2147.26 g/mol
• Exact Mass: 2145.88
• IUPAC Name: 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide
• SMILES: COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)CO)C[C@H]4F)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)c5n[nH]c(C)n5)CC4)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.COc1nc(Nc2cc(-c3ccc(OC4CCN(C)CC4(F)F)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.COc1nc(Nc2cc(-c3ccc(O[C@H]4CCNC[C@H]4F)c(C#N)c3)ncn2)ccc1C(=O)N(C)C
• InChI: InChI=1S/C29H30N10O4.C27H28FN7O5.C26H27F2N7O3.C25H26FN7O3/c1-17-33-26(37-36-17)29(41)39-11-9-20(10-12-39)43-23-7-5-18(13-19(23)15-30)22-14-25(32-16-31-22)34-24-8-6-21(27(35-24)42-4)28(40)38(2)3;1-34(2)27(38)18-5-7-23(33-26(18)39-3)32-24-11-20(30-15-31-24)16-4-6-21(17(10-16)12-29)40-22-8-9-35(13-19(22)28)25(37)14-36;1-34(2)25(36)18-6-8-22(33-24(18)37-4)32-23-12-19(30-15-31-23)16-5-7-20(17(11-16)13-29)38-21-9-10-35(3)14-26(21,27)28;1-33(2)25(34)17-5-7-22(32-24(17)35-3)31-23-11-19(29-14-30-23)15-4-6-20(16(10-15)12-27)36-21-8-9-28-13-18(21)26/h5-8,13-14,16,20H,9-12H2,1-4H3,(H,33,36,37)(H,31,32,34,35);4-7,10-11,15,19,22,36H,8-9,13-14H2,1-3H3,(H,30,31,32,33);5-8,11-12,15,21H,9-10,14H2,1-4H3,(H,30,31,32,33);4-7,10-11,14,18,21,28H,8-9,13H2,1-3H3,(H,29,30,31,32)/t;19-,22?;;18-,21+/m.1.1/s1
• InChIKey: BLXCNRAZXQAJAT-IDIPLXFKSA-N
• XLogP: 11.67
• TPSA: 570.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.26
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide (CID 157390107) is 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?

The canonical SMILES for 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide is COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)CO)C[C@H]4F)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)c5n[nH]c(C)n5)CC4)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.COc1nc(Nc2cc(-c3ccc(OC4CCN(C)CC4(F)F)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.COc1nc(Nc2cc(-c3ccc(O[C@H]4CCNC[C@H]4F)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.

What is the InChIKey of 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?

The InChIKey is BLXCNRAZXQAJAT-IDIPLXFKSA-N. The full InChI is InChI=1S/C29H30N10O4.C27H28FN7O5.C26H27F2N7O3.C25H26FN7O3/c1-17-33-26(37-36-17)29(41)39-11-9-20(10-12-39)43-23-7-5-18(13-19(23)15-30)22-14-25(32-16-31-22)34-24-8-6-21(27(35-24)42-4)28(40)38(2)3;1-34(2)27(38)18-5-7-23(33-26(18)39-3)32-24-11-20(30-15-31-24)16-4-6-21(17(10-16)12-29)40-22-8-9-35(13-19(22)28)25(37)14-36;1-34(2)25(36)18-6-8-22(33-24(18)37-4)32-23-12-19(30-15-31-23)16-5-7-20(17(11-16)13-29)38-21-9-10-35(3)14-26(21,27)28;1-33(2)25(34)17-5-7-22(32-24(17)35-3)31-23-11-19(29-14-30-23)15-4-6-20(16(10-15)12-27)36-21-8-9-28-13-18(21)26/h5-8,13-14,16,20H,9-12H2,1-4H3,(H,33,36,37)(H,31,32,34,35);4-7,10-11,15,19,22,36H,8-9,13-14H2,1-3H3,(H,30,31,32,33);5-8,11-12,15,21H,9-10,14H2,1-4H3,(H,30,31,32,33);4-7,10-11,14,18,21,28H,8-9,13H2,1-3H3,(H,29,30,31,32)/t;19-,22?;;18-,21+/m.1.1/s1.

What are the key properties of 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?

6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 2147.26 g/mol, XLogP of 11.67, 30 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 157390107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).