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

C22H24F2N6O5 — CID 25096502

IUPAC5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide
SMILESC[C@@H](COC(F)F)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C22H24F2N6O5/c1-13(12-33-22(23)24)34-15-7-14(20(31)27-18-5-6-30(4)28-18)8-16(9-15)35-19-11-25-17(10-26-19)21(32)29(2)3/h5-11,13,22H,12H2,1-4H3,(H,27,28,31)/t13-/m0/s1
InChIKeyIBIYKKNIRUNRLJ-ZDUSSCGKSA-N
MW490.47 g/mol
LogP2.96
Rot. Bonds10

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

5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 25096502) has the molecular formula C22H24F2N6O5 and a molecular weight of 490.47 g/mol. Its IUPAC name is 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID25096502
Molecular FormulaC22H24F2N6O5
Molecular Weight490.47 g/mol
Exact Mass490.18
IUPAC Name5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide
SMILESC[C@@H](COC(F)F)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C22H24F2N6O5/c1-13(12-33-22(23)24)34-15-7-14(20(31)27-18-5-6-30(4)28-18)8-16(9-15)35-19-11-25-17(10-26-19)21(32)29(2)3/h5-11,13,22H,12H2,1-4H3,(H,27,28,31)/t13-/m0/s1
InChIKeyIBIYKKNIRUNRLJ-ZDUSSCGKSA-N
XLogP2.96
TPSA120.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide (CID 25096502) is 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide is C[C@@H](COC(F)F)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is IBIYKKNIRUNRLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H24F2N6O5/c1-13(12-33-22(23)24)34-15-7-14(20(31)27-18-5-6-30(4)28-18)8-16(9-15)35-19-11-25-17(10-26-19)21(32)29(2)3/h5-11,13,22H,12H2,1-4H3,(H,27,28,31)/t13-/m0/s1.
What are the key properties of 5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 490.47 g/mol, XLogP of 2.96, 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-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 25096502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).