3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide

C26H23F2N5O2 — CID 155209418

IUPAC3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(F)c1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H23F2N5O2/c1-14-11-17(12-15(2)31-14)23-22(16-7-9-18(27)10-8-16)33-25(29)24(32-23)26(34)30-13-19-20(28)5-4-6-21(19)35-3/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34)
InChIKeyUMJXRSZTQCDOAN-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.62
Rot. Bonds6

About 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide

3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 155209418) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID155209418
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(F)c1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H23F2N5O2/c1-14-11-17(12-15(2)31-14)23-22(16-7-9-18(27)10-8-16)33-25(29)24(32-23)26(34)30-13-19-20(28)5-4-6-21(19)35-3/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34)
InChIKeyUMJXRSZTQCDOAN-UHFFFAOYSA-N
XLogP4.62
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)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

Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
CID 16024922
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)pyrazine-2-carboxamide
CID 54582823
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(2-methoxyphenyl)-3-pyridinyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one
CID 57392463
3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 70685427
3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 70691763
3-Amino-6-(4-methoxyphenyl)-n-phenylpyrazine-2-carboxamide
CID 46834571
3-amino-6-(2,6-dimethylpyridin-4-yl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 146380223
N-benzyl-6-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425929
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-N-butan-2-yl-6-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 122185558
2-(2-ethoxyphenyl)-9-[(4-methylpiperazin-1-yl)methyl]-3H-purino[9,8-a]pyridin-4-one
CID 135964430

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide (CID 155209418) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide is COc1cccc(F)c1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is UMJXRSZTQCDOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-14-11-17(12-15(2)31-14)23-22(16-7-9-18(27)10-8-16)33-25(29)24(32-23)26(34)30-13-19-20(28)5-4-6-21(19)35-3/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34).
What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).