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

C30H29F2N7O3S2 — CID 135326948

About 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

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 (PubChem CID 135326948) has the molecular formula C30H29F2N7O3S2 and a molecular weight of 637.74 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 135326948
• Molecular Formula: C30H29F2N7O3S2
• Molecular Weight: 637.74 g/mol
• Exact Mass: 637.17
• IUPAC Name: 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
• SMILES: Cc1nc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CNC[C@H](F)C5)n4)c(C)ccc23)cs1
• InChI: InChI=1S/C30H29F2N7O3S2/c1-17-5-6-22-23(7-8-25(32)27(22)39-44(40,41)16-21-15-43-18(2)36-21)28(17)42-29-24(4-3-10-34-29)26-9-11-35-30(38-26)37-20-12-19(31)13-33-14-20/h3-11,15,19-20,33,39H,12-14,16H2,1-2H3,(H,35,37,38)/t19-,20-/m1/s1
• InChIKey: WCNQOUZSKIJNMO-WOJBJXKFSA-N
• XLogP: 5.75
• TPSA: 131.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.74
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 135326948) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CNC[C@H](F)C5)n4)c(C)ccc23)cs1.

What is the InChIKey of 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?

The InChIKey is WCNQOUZSKIJNMO-WOJBJXKFSA-N. The full InChI is InChI=1S/C30H29F2N7O3S2/c1-17-5-6-22-23(7-8-25(32)27(22)39-44(40,41)16-21-15-43-18(2)36-21)28(17)42-29-24(4-3-10-34-29)26-9-11-35-30(38-26)37-20-12-19(31)13-33-14-20/h3-11,15,19-20,33,39H,12-14,16H2,1-2H3,(H,35,37,38)/t19-,20-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 637.74 g/mol, XLogP of 5.75, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 135326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).