7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine

C22H25FN4O — CID 171085518

IUPAC7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
SMILESCOc1cc(C)cc(C)c1-c1nc2nc(C3CCCN(C)C3)cnc2cc1F
InChIInChI=1S/C22H25FN4O/c1-13-8-14(2)20(19(9-13)28-4)21-16(23)10-17-22(26-21)25-18(11-24-17)15-6-5-7-27(3)12-15/h8-11,15H,5-7,12H2,1-4H3
InChIKeyQPOSHBGGNWORPH-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.27
Rot. Bonds3

About 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine

7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine (PubChem CID 171085518) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
PubChem CID171085518
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
SMILESCOc1cc(C)cc(C)c1-c1nc2nc(C3CCCN(C)C3)cnc2cc1F
InChIInChI=1S/C22H25FN4O/c1-13-8-14(2)20(19(9-13)28-4)21-16(23)10-17-22(26-21)25-18(11-24-17)15-6-5-7-27(3)12-15/h8-11,15H,5-7,12H2,1-4H3
InChIKeyQPOSHBGGNWORPH-UHFFFAOYSA-N
XLogP4.27
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine with MolForge

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
CID 171085866
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
CID 175867644
2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085709
6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine
CID 171085802
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905785
methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
CID 171085704
tert-butyl 3-[7-fluoro-6-(4-methylphenyl)sulfonyloxypyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085827
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
CID 116894539

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine?
The IUPAC name of 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine (CID 171085518) is 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine is COc1cc(C)cc(C)c1-c1nc2nc(C3CCCN(C)C3)cnc2cc1F.
What is the InChIKey of 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine?
The InChIKey is QPOSHBGGNWORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-13-8-14(2)20(19(9-13)28-4)21-16(23)10-17-22(26-21)25-18(11-24-17)15-6-5-7-27(3)12-15/h8-11,15H,5-7,12H2,1-4H3.
What are the key properties of 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine?
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine has a molecular weight of 380.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 171085518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).