5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide

C23H24F2N6O5 — CID 25096253

IUPAC5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)cc(O[C@@H](C)COC(F)F)c2)cn1
InChIInChI=1S/C23H24F2N6O5/c1-13-8-28-19(10-26-13)30-21(32)15-5-16(35-14(2)12-34-23(24)25)7-17(6-15)36-20-11-27-18(9-29-20)22(33)31(3)4/h5-11,14,23H,12H2,1-4H3,(H,28,30,32)/t14-/m0/s1
InChIKeyRBYJCAVKEDZBDN-AWEZNQCLSA-N
MW502.48 g/mol
LogP3.33
Rot. Bonds10

About 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide

5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 25096253) has the molecular formula C23H24F2N6O5 and a molecular weight of 502.48 g/mol. Its IUPAC name is 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID25096253
Molecular FormulaC23H24F2N6O5
Molecular Weight502.48 g/mol
Exact Mass502.18
IUPAC Name5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)cc(O[C@@H](C)COC(F)F)c2)cn1
InChIInChI=1S/C23H24F2N6O5/c1-13-8-28-19(10-26-13)30-21(32)15-5-16(35-14(2)12-34-23(24)25)7-17(6-15)36-20-11-27-18(9-29-20)22(33)31(3)4/h5-11,14,23H,12H2,1-4H3,(H,28,30,32)/t14-/m0/s1
InChIKeyRBYJCAVKEDZBDN-AWEZNQCLSA-N
XLogP3.33
TPSA128.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide (CID 25096253) is 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)cc(O[C@@H](C)COC(F)F)c2)cn1.
What is the InChIKey of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is RBYJCAVKEDZBDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24F2N6O5/c1-13-8-28-19(10-26-13)30-21(32)15-5-16(35-14(2)12-34-23(24)25)7-17(6-15)36-20-11-27-18(9-29-20)22(33)31(3)4/h5-11,14,23H,12H2,1-4H3,(H,28,30,32)/t14-/m0/s1.
What are the key properties of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 502.48 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 25096253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).