2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol

C22H26N4O2 — CID 171085709

IUPAC2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2cc(CO)c3ncc([C@@H]4CCCN(C)C4)nc3n2)c(O)c1
InChIInChI=1S/C22H26N4O2/c1-13-7-14(2)20(19(28)8-13)17-9-16(12-27)21-22(24-17)25-18(10-23-21)15-5-4-6-26(3)11-15/h7-10,15,27-28H,4-6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyNSQUKIZVPNXFCG-OAHLLOKOSA-N
MW378.48 g/mol
LogP3.32
Rot. Bonds3

About 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol

2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol (PubChem CID 171085709) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
PubChem CID171085709
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2cc(CO)c3ncc([C@@H]4CCCN(C)C4)nc3n2)c(O)c1
InChIInChI=1S/C22H26N4O2/c1-13-7-14(2)20(19(28)8-13)17-9-16(12-27)21-22(24-17)25-18(10-23-21)15-5-4-6-26(3)11-15/h7-10,15,27-28H,4-6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyNSQUKIZVPNXFCG-OAHLLOKOSA-N
XLogP3.32
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol with MolForge

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Related Compounds

5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
CID 171085866
3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
CID 171085522
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
CID 171085518
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
2-[5-(hydroxymethyl)-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 170764620
[4-[6-(1-methylpiperidin-3-yl)-3-pyridinyl]phenyl]methanol
CID 110257480
N,N-dimethyl-6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-amine
CID 95841163
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170156002
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 171085652

Frequently Asked Questions

What is the IUPAC name of 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol (CID 171085709) is 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2cc(CO)c3ncc([C@@H]4CCCN(C)C4)nc3n2)c(O)c1.
What is the InChIKey of 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The InChIKey is NSQUKIZVPNXFCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-7-14(2)20(19(28)8-13)17-9-16(12-27)21-22(24-17)25-18(10-23-21)15-5-4-6-26(3)11-15/h7-10,15,27-28H,4-6,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol has a molecular weight of 378.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol is sourced from PubChem (CID 171085709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).