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

C30H30ClF2N7O3S2 — CID 135326947

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;hydrochloride

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 (PubChem CID 135326947) has the molecular formula C30H30ClF2N7O3S2 and a molecular weight of 674.20 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;hydrochloride.

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;hydrochloride
• PubChem CID: 135326947
• Molecular Formula: C30H30ClF2N7O3S2
• Molecular Weight: 674.20 g/mol
• Exact Mass: 673.15
• 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;hydrochloride
• SMILES: Cc1nc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CNC[C@H](F)C5)n4)c(C)ccc23)cs1.Cl
• InChI: InChI=1S/C30H29F2N7O3S2.ClH/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);1H/t19-,20-;/m1./s1
• InChIKey: WAWWQVXWUMWNBM-GZJHNZOKSA-N
• XLogP: 6.17
• TPSA: 131.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.20
LogP ≤ 5	6.17
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;hydrochloride?

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;hydrochloride (CID 135326947) 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;hydrochloride.

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;hydrochloride?

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;hydrochloride is Cc1nc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CNC[C@H](F)C5)n4)c(C)ccc23)cs1.Cl.

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;hydrochloride?

The InChIKey is WAWWQVXWUMWNBM-GZJHNZOKSA-N. The full InChI is InChI=1S/C30H29F2N7O3S2.ClH/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);1H/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;hydrochloride?

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 has a molecular weight of 674.20 g/mol, XLogP of 6.17, 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;hydrochloride is sourced from PubChem (CID 135326947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).