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

C25H19F4N5O3 — CID 146380263

IUPAC3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C25H19F4N5O3/c1-34-12-14(7-10-19(34)35)21-20(13-5-8-15(26)9-6-13)33-23(30)22(32-21)24(36)31-11-16-17(27)3-2-4-18(16)37-25(28)29/h2-10,12,25H,11H2,1H3,(H2,30,33)(H,31,36)
InChIKeyGHVBEPIFQXRYNZ-UHFFFAOYSA-N
MW513.45 g/mol
LogP3.90
Rot. Bonds7

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

3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 146380263) has the molecular formula C25H19F4N5O3 and a molecular weight of 513.45 g/mol. Its IUPAC name is 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID146380263
Molecular FormulaC25H19F4N5O3
Molecular Weight513.45 g/mol
Exact Mass513.14
IUPAC Name3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C25H19F4N5O3/c1-34-12-14(7-10-19(34)35)21-20(13-5-8-15(26)9-6-13)33-23(30)22(32-21)24(36)31-11-16-17(27)3-2-4-18(16)37-25(28)29/h2-10,12,25H,11H2,1H3,(H2,30,33)(H,31,36)
InChIKeyGHVBEPIFQXRYNZ-UHFFFAOYSA-N
XLogP3.90
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (CID 146380263) is 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]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)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is GHVBEPIFQXRYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O3/c1-34-12-14(7-10-19(34)35)21-20(13-5-8-15(26)9-6-13)33-23(30)22(32-21)24(36)31-11-16-17(27)3-2-4-18(16)37-25(28)29/h2-10,12,25H,11H2,1H3,(H2,30,33)(H,31,36).
What are the key properties of 3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 513.45 g/mol, XLogP of 3.90, 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)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).