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

C27H22F3N5O3 — CID 146386434

IUPAC3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESC=Cc1cccc(OC(F)F)c1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C27H22F3N5O3/c1-3-15-5-4-6-20(38-27(29)30)19(15)13-32-26(37)24-25(31)34-22(16-7-10-18(28)11-8-16)23(33-24)17-9-12-21(36)35(2)14-17/h3-12,14,27H,1,13H2,2H3,(H2,31,34)(H,32,37)
InChIKeyDQLIQIMFUBHLDM-UHFFFAOYSA-N
MW521.50 g/mol
LogP4.41
Rot. Bonds8

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

3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 146386434) has the molecular formula C27H22F3N5O3 and a molecular weight of 521.50 g/mol. Its IUPAC name is 3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID146386434
Molecular FormulaC27H22F3N5O3
Molecular Weight521.50 g/mol
Exact Mass521.17
IUPAC Name3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESC=Cc1cccc(OC(F)F)c1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C27H22F3N5O3/c1-3-15-5-4-6-20(38-27(29)30)19(15)13-32-26(37)24-25(31)34-22(16-7-10-18(28)11-8-16)23(33-24)17-9-12-21(36)35(2)14-17/h3-12,14,27H,1,13H2,2H3,(H2,31,34)(H,32,37)
InChIKeyDQLIQIMFUBHLDM-UHFFFAOYSA-N
XLogP4.41
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.50
LogP ≤ 54.41
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-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (CID 146386434) is 3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]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-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is C=Cc1cccc(OC(F)F)c1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is DQLIQIMFUBHLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O3/c1-3-15-5-4-6-20(38-27(29)30)19(15)13-32-26(37)24-25(31)34-22(16-7-10-18(28)11-8-16)23(33-24)17-9-12-21(36)35(2)14-17/h3-12,14,27H,1,13H2,2H3,(H2,31,34)(H,32,37).
What are the key properties of 3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 521.50 g/mol, XLogP of 4.41, 8 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-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).