2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile

C125H139F7N34O16 — CID 158440849

IUPAC2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
SMILESCOc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)[C@@H](C)O)CC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)[C@H](C)O)CC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.COc1nc(Nc2cc(-c3ccc(OC4CCNCC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C)[C@@H](C)C1.COc1nc(Nc2cc(-c3ccc(O[C@H]4CCN(C(=O)C5=CN=NC5)C[C@H]4F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C33H35FN10O4.2C32H36F2N8O5.C28H32F2N8O2/c1-46-32-27(43-10-8-42(9-11-43)24-18-47-19-24)3-5-30(41-32)40-31-13-26(36-20-37-31)21-2-4-28(22(12-21)14-35)48-29-6-7-44(17-25(29)34)33(45)23-15-38-39-16-23;2*1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23;1-18-15-38(11-10-37(18)2)22-5-7-25(36-27(22)39-3)35-26-13-21(33-17-34-26)19-4-6-23(20(12-19)14-31)40-24-8-9-32-16-28(24,29)30/h2-5,12-13,15,20,24-25,29H,6-11,16-19H2,1H3,(H,36,37,40,41);2*3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39);4-7,12-13,17-18,24,32H,8-11,15-16H2,1-3H3,(H,33,34,35,36)/t25-,29+;2*20-,27?;18-,24?/m1100/s1
InChIKeyHCUIHCYZFRRPNV-UQGLDGCOSA-N
MW2506.69 g/mol
LogP12.39
Rot. Bonds34

About 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile

2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile (PubChem CID 158440849) has the molecular formula C125H139F7N34O16 and a molecular weight of 2506.69 g/mol. Its IUPAC name is 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
PubChem CID158440849
Molecular FormulaC125H139F7N34O16
Molecular Weight2506.69 g/mol
Exact Mass2505.10
IUPAC Name2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
SMILESCOc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)[C@@H](C)O)CC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)[C@H](C)O)CC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.COc1nc(Nc2cc(-c3ccc(OC4CCNCC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C)[C@@H](C)C1.COc1nc(Nc2cc(-c3ccc(O[C@H]4CCN(C(=O)C5=CN=NC5)C[C@H]4F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C33H35FN10O4.2C32H36F2N8O5.C28H32F2N8O2/c1-46-32-27(43-10-8-42(9-11-43)24-18-47-19-24)3-5-30(41-32)40-31-13-26(36-20-37-31)21-2-4-28(22(12-21)14-35)48-29-6-7-44(17-25(29)34)33(45)23-15-38-39-16-23;2*1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23;1-18-15-38(11-10-37(18)2)22-5-7-25(36-27(22)39-3)35-26-13-21(33-17-34-26)19-4-6-23(20(12-19)14-31)40-24-8-9-32-16-28(24,29)30/h2-5,12-13,15,20,24-25,29H,6-11,16-19H2,1H3,(H,36,37,40,41);2*3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39);4-7,12-13,17-18,24,32H,8-11,15-16H2,1-3H3,(H,33,34,35,36)/t25-,29+;2*20-,27?;18-,24?/m1100/s1
InChIKeyHCUIHCYZFRRPNV-UQGLDGCOSA-N
XLogP12.39
TPSA563.55 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002506.69
LogP ≤ 512.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile (CID 158440849) is 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile is COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)[C@@H](C)O)CC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)[C@H](C)O)CC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.COc1nc(Nc2cc(-c3ccc(OC4CCNCC4(F)F)c(C#N)c3)ncn2)ccc1N1CCN(C)[C@@H](C)C1.COc1nc(Nc2cc(-c3ccc(O[C@H]4CCN(C(=O)C5=CN=NC5)C[C@H]4F)c(C#N)c3)ncn2)ccc1N1CCN(C2COC2)CC1.
What is the InChIKey of 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile?
The InChIKey is HCUIHCYZFRRPNV-UQGLDGCOSA-N. The full InChI is InChI=1S/C33H35FN10O4.2C32H36F2N8O5.C28H32F2N8O2/c1-46-32-27(43-10-8-42(9-11-43)24-18-47-19-24)3-5-30(41-32)40-31-13-26(36-20-37-31)21-2-4-28(22(12-21)14-35)48-29-6-7-44(17-25(29)34)33(45)23-15-38-39-16-23;2*1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23;1-18-15-38(11-10-37(18)2)22-5-7-25(36-27(22)39-3)35-26-13-21(33-17-34-26)19-4-6-23(20(12-19)14-31)40-24-8-9-32-16-28(24,29)30/h2-5,12-13,15,20,24-25,29H,6-11,16-19H2,1H3,(H,36,37,40,41);2*3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39);4-7,12-13,17-18,24,32H,8-11,15-16H2,1-3H3,(H,33,34,35,36)/t25-,29+;2*20-,27?;18-,24?/m1100/s1.
What are the key properties of 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile?
2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile has a molecular weight of 2506.69 g/mol, XLogP of 12.39, 34 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-(3,3-difluoropiperidin-4-yl)oxy-5-[6-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]-6-methoxy-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-[(3R,4S)-3-fluoro-1-(3H-pyrazole-4-carbonyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 158440849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).