3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide

C25H20F3N5O3 — CID 146380258

IUPAC3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C25H20F3N5O3/c1-33-13-16(8-11-19(33)34)21-20(14-6-9-17(26)10-7-14)32-23(29)22(31-21)24(35)30-12-15-4-2-3-5-18(15)36-25(27)28/h2-11,13,25H,12H2,1H3,(H2,29,32)(H,30,35)
InChIKeyXOHOLZCXFDPBFD-UHFFFAOYSA-N
MW495.46 g/mol
LogP3.76
Rot. Bonds7

About 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 146380258) has the molecular formula C25H20F3N5O3 and a molecular weight of 495.46 g/mol. Its IUPAC name is 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID146380258
Molecular FormulaC25H20F3N5O3
Molecular Weight495.46 g/mol
Exact Mass495.15
IUPAC Name3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C25H20F3N5O3/c1-33-13-16(8-11-19(33)34)21-20(14-6-9-17(26)10-7-14)32-23(29)22(31-21)24(35)30-12-15-4-2-3-5-18(15)36-25(27)28/h2-11,13,25H,12H2,1H3,(H2,29,32)(H,30,35)
InChIKeyXOHOLZCXFDPBFD-UHFFFAOYSA-N
XLogP3.76
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-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 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (CID 146380258) is 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ccccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is XOHOLZCXFDPBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3/c1-33-13-16(8-11-19(33)34)21-20(14-6-9-17(26)10-7-14)32-23(29)22(31-21)24(35)30-12-15-4-2-3-5-18(15)36-25(27)28/h2-11,13,25H,12H2,1H3,(H2,29,32)(H,30,35).
What are the key properties of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 495.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).