N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide

C30H32F4N6O3S — CID 159636083

IUPACN-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide
SMILESCc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1
InChIInChI=1S/C30H32F4N6O3S/c1-18-6-7-21-22(8-9-25(32)24(21)16-44(41,42)40(3)17-30(2,33)34)27(18)43-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20/h4-12,19-20,35H,13-17H2,1-3H3,(H,37,38,39)/t19-,20-/m0/s1
InChIKeyGGBWUXXRGLZYHC-PMACEKPBSA-N
MW632.68 g/mol
LogP5.46
Rot. Bonds10

About N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide

N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide (PubChem CID 159636083) has the molecular formula C30H32F4N6O3S and a molecular weight of 632.68 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide
PubChem CID159636083
Molecular FormulaC30H32F4N6O3S
Molecular Weight632.68 g/mol
Exact Mass632.22
IUPAC NameN-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide
SMILESCc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1
InChIInChI=1S/C30H32F4N6O3S/c1-18-6-7-21-22(8-9-25(32)24(21)16-44(41,42)40(3)17-30(2,33)34)27(18)43-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20/h4-12,19-20,35H,13-17H2,1-3H3,(H,37,38,39)/t19-,20-/m0/s1
InChIKeyGGBWUXXRGLZYHC-PMACEKPBSA-N
XLogP5.46
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.68
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine
CID 159165271
2,2,2-trifluoro-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide
CID 135327102
4-[4-[5-(benzylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxypyrimidin-5-yl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine
CID 163976154
N-[5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
CID 135327669
N-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride
CID 135326947
4-[2-[6-fluoro-2-methyl-5-[[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]naphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine
CID 135327012
4-[2-[6-fluoro-2-methyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfonylmethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 161077332
1-(2,6-difluorophenyl)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]methanesulfonamide
CID 135328504
3,3,3-trifluoro-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride
CID 135328838
N-[4-[[3-[2-[(5-fluoropiperidin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide
CID 163302468
3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135328593
3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(3,3,3-trifluoro-2-methoxypropyl)amino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327649

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide (CID 159636083) is N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide is Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.
What is the InChIKey of N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide?
The InChIKey is GGBWUXXRGLZYHC-PMACEKPBSA-N. The full InChI is InChI=1S/C30H32F4N6O3S/c1-18-6-7-21-22(8-9-25(32)24(21)16-44(41,42)40(3)17-30(2,33)34)27(18)43-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20/h4-12,19-20,35H,13-17H2,1-3H3,(H,37,38,39)/t19-,20-/m0/s1.
What are the key properties of N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide?
N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide has a molecular weight of 632.68 g/mol, XLogP of 5.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 159636083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).