(2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride

C29H34ClFN6O4S — CID 135328493

About (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride

(2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride (PubChem CID 135328493) has the molecular formula C29H34ClFN6O4S and a molecular weight of 617.15 g/mol. Its IUPAC name is (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride
• PubChem CID: 135328493
• Molecular Formula: C29H34ClFN6O4S
• Molecular Weight: 617.15 g/mol
• Exact Mass: 616.20
• IUPAC Name: (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride
• SMILES: CO[C@@H](C)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12.Cl
• InChI: InChI=1S/C29H33FN6O4S.ClH/c1-18-8-9-21-22(10-11-24(30)26(21)36-41(37,38)17-19(2)39-3)27(18)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-16-20;/h5,7-12,14-15,19-20,31,36H,4,6,13,16-17H2,1-3H3,(H,33,34,35);1H/t19-,20-;/m0./s1
• InChIKey: LAIJLBORAYEWMY-FKLPMGAJSA-N
• XLogP: 5.29
• TPSA: 127.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.15
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride?

The IUPAC name of (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride (CID 135328493) is (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride.

What is the SMILES notation for (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride?

The canonical SMILES for (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride is CO[C@@H](C)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12.Cl.

What is the InChIKey of (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride?

The InChIKey is LAIJLBORAYEWMY-FKLPMGAJSA-N. The full InChI is InChI=1S/C29H33FN6O4S.ClH/c1-18-8-9-21-22(10-11-24(30)26(21)36-41(37,38)17-19(2)39-3)27(18)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-16-20;/h5,7-12,14-15,19-20,31,36H,4,6,13,16-17H2,1-3H3,(H,33,34,35);1H/t19-,20-;/m0./s1.

What are the key properties of (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride?

(2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride has a molecular weight of 617.15 g/mol, XLogP of 5.29, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 135328493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).