2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide

C149H162F16N30O15S5 — CID 159211146

IUPAC2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
SMILESCCC(F)(F)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.CCCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.CCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1
InChIInChI=1S/3C30H32F4N6O3S.C30H34F2N6O3S.C29H32F2N6O3S/c2*1-18-6-7-20-21(8-9-23(31)25(20)40-44(41,42)14-11-30(3,33)34)26(18)43-27-22(5-4-12-36-27)24-10-13-37-28(39-24)38-19-15-29(2,32)17-35-16-19;1-4-30(33,34)17-44(41,42)40-25-20-8-7-18(2)26(21(20)9-10-23(25)31)43-27-22(6-5-12-36-27)24-11-13-37-28(39-24)38-19-14-29(3,32)16-35-15-19;1-4-5-15-42(39,40)38-26-21-9-8-19(2)27(22(21)10-11-24(26)31)41-28-23(7-6-13-34-28)25-12-14-35-29(37-25)36-20-16-30(3,32)18-33-17-20;1-4-14-41(38,39)37-25-20-8-7-18(2)26(21(20)9-10-23(25)30)40-27-22(6-5-12-33-27)24-11-13-34-28(36-24)35-19-15-29(3,31)17-32-16-19/h2*4-10,12-13,19,35,40H,11,14-17H2,1-3H3,(H,37,38,39);5-13,19,35,40H,4,14-17H2,1-3H3,(H,37,38,39);6-14,20,33,38H,4-5,15-18H2,1-3H3,(H,35,36,37);5-13,19,32,37H,4,14-17H2,1-3H3,(H,34,35,36)/t3*19-,29-;20-,30-;19-,29-/m00000/s1
InChIKeyKQMVODOGFBOICF-GZCDGWMHSA-N
MW3077.43 g/mol
LogP30.22
Rot. Bonds49

About 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide

2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide (PubChem CID 159211146) has the molecular formula C149H162F16N30O15S5 and a molecular weight of 3077.43 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
PubChem CID159211146
Molecular FormulaC149H162F16N30O15S5
Molecular Weight3077.43 g/mol
Exact Mass3075.12
IUPAC Name2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
SMILESCCC(F)(F)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.CCCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.CCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1
InChIInChI=1S/3C30H32F4N6O3S.C30H34F2N6O3S.C29H32F2N6O3S/c2*1-18-6-7-20-21(8-9-23(31)25(20)40-44(41,42)14-11-30(3,33)34)26(18)43-27-22(5-4-12-36-27)24-10-13-37-28(39-24)38-19-15-29(2,32)17-35-16-19;1-4-30(33,34)17-44(41,42)40-25-20-8-7-18(2)26(21(20)9-10-23(25)31)43-27-22(6-5-12-36-27)24-11-13-37-28(39-24)38-19-14-29(3,32)16-35-15-19;1-4-5-15-42(39,40)38-26-21-9-8-19(2)27(22(21)10-11-24(26)31)41-28-23(7-6-13-34-28)25-12-14-35-29(37-25)36-20-16-30(3,32)18-33-17-20;1-4-14-41(38,39)37-25-20-8-7-18(2)26(21(20)9-10-23(25)30)40-27-22(6-5-12-33-27)24-11-13-34-28(36-24)35-19-15-29(3,31)17-32-16-19/h2*4-10,12-13,19,35,40H,11,14-17H2,1-3H3,(H,37,38,39);5-13,19,35,40H,4,14-17H2,1-3H3,(H,37,38,39);6-14,20,33,38H,4-5,15-18H2,1-3H3,(H,35,36,37);5-13,19,32,37H,4,14-17H2,1-3H3,(H,34,35,36)/t3*19-,29-;20-,30-;19-,29-/m00000/s1
InChIKeyKQMVODOGFBOICF-GZCDGWMHSA-N
XLogP30.22
TPSA590.65 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds49
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003077.43
LogP ≤ 530.22
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Amg-18
CID 118721244
N-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 118721240
N-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-2-methoxybenzenesulfonamide
CID 118721241
2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide
CID 155925860
2-cyclopropyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide
CID 135326861
3,3,3-trifluoro-N-[6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]propane-1-sulfonamide
CID 135327057
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide
CID 135327150
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
CID 135327224
N-[3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327877
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327903
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentanesulfonamide
CID 135327959
N-[2,6-dimethyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]-3,3,3-trifluoropropane-1-sulfonamide
CID 135328370

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide?
The IUPAC name of 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide (CID 159211146) is 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide?
The canonical SMILES for 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide is CCC(F)(F)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.CCCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.CCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)ccc12.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1.
What is the InChIKey of 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide?
The InChIKey is KQMVODOGFBOICF-GZCDGWMHSA-N. The full InChI is InChI=1S/3C30H32F4N6O3S.C30H34F2N6O3S.C29H32F2N6O3S/c2*1-18-6-7-20-21(8-9-23(31)25(20)40-44(41,42)14-11-30(3,33)34)26(18)43-27-22(5-4-12-36-27)24-10-13-37-28(39-24)38-19-15-29(2,32)17-35-16-19;1-4-30(33,34)17-44(41,42)40-25-20-8-7-18(2)26(21(20)9-10-23(25)31)43-27-22(6-5-12-36-27)24-11-13-37-28(39-24)38-19-14-29(3,32)16-35-15-19;1-4-5-15-42(39,40)38-26-21-9-8-19(2)27(22(21)10-11-24(26)31)41-28-23(7-6-13-34-28)25-12-14-35-29(37-25)36-20-16-30(3,32)18-33-17-20;1-4-14-41(38,39)37-25-20-8-7-18(2)26(21(20)9-10-23(25)30)40-27-22(6-5-12-33-27)24-11-13-34-28(36-24)35-19-15-29(3,31)17-32-16-19/h2*4-10,12-13,19,35,40H,11,14-17H2,1-3H3,(H,37,38,39);5-13,19,35,40H,4,14-17H2,1-3H3,(H,37,38,39);6-14,20,33,38H,4-5,15-18H2,1-3H3,(H,35,36,37);5-13,19,32,37H,4,14-17H2,1-3H3,(H,34,35,36)/t3*19-,29-;20-,30-;19-,29-/m00000/s1.
What are the key properties of 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide?
2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide has a molecular weight of 3077.43 g/mol, XLogP of 30.22, 49 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;bis(3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide);N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 159211146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).