5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol

C21H24N4O2 — CID 171085866

IUPAC5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
SMILESCOc1cc(C)c(-c2ccc3ncc([C@@H]4CCCN(C)C4)nc3n2)c(O)c1
InChIInChI=1S/C21H24N4O2/c1-13-9-15(27-3)10-19(26)20(13)16-6-7-17-21(23-16)24-18(11-22-17)14-5-4-8-25(2)12-14/h6-7,9-11,14,26H,4-5,8,12H2,1-3H3/t14-/m1/s1
InChIKeyPMZYNJWUOSJBFD-CQSZACIVSA-N
MW364.45 g/mol
LogP3.52
Rot. Bonds3

About 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol

5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol (PubChem CID 171085866) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
PubChem CID171085866
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
SMILESCOc1cc(C)c(-c2ccc3ncc([C@@H]4CCCN(C)C4)nc3n2)c(O)c1
InChIInChI=1S/C21H24N4O2/c1-13-9-15(27-3)10-19(26)20(13)16-6-7-17-21(23-16)24-18(11-22-17)14-5-4-8-25(2)12-14/h6-7,9-11,14,26H,4-5,8,12H2,1-3H3/t14-/m1/s1
InChIKeyPMZYNJWUOSJBFD-CQSZACIVSA-N
XLogP3.52
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
CID 171085522
2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085709
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
CID 171085518
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine
CID 95820925
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085585
(3S)-3-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 95188135
3-methyl-2-[5-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284541
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol?
The IUPAC name of 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol (CID 171085866) is 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol.
What is the SMILES notation for 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol?
The canonical SMILES for 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol is COc1cc(C)c(-c2ccc3ncc([C@@H]4CCCN(C)C4)nc3n2)c(O)c1.
What is the InChIKey of 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol?
The InChIKey is PMZYNJWUOSJBFD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-9-15(27-3)10-19(26)20(13)16-6-7-17-21(23-16)24-18(11-22-17)14-5-4-8-25(2)12-14/h6-7,9-11,14,26H,4-5,8,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol?
5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol has a molecular weight of 364.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol is sourced from PubChem (CID 171085866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).