2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol

C24H22N4O2 — CID 135525328

IUPAC2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
SMILESCOc1cc(-c2cncc(N[C@H](C)c3ccc(-c4cccnc4)cc3)n2)ccc1O
InChIInChI=1S/C24H22N4O2/c1-16(17-5-7-18(8-6-17)20-4-3-11-25-13-20)27-24-15-26-14-21(28-24)19-9-10-22(29)23(12-19)30-2/h3-16,29H,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyXYELFVFIXOYHKD-MRXNPFEDSA-N
MW398.47 g/mol
LogP5.09
Rot. Bonds6

About 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol

2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol (PubChem CID 135525328) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
PubChem CID135525328
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
SMILESCOc1cc(-c2cncc(N[C@H](C)c3ccc(-c4cccnc4)cc3)n2)ccc1O
InChIInChI=1S/C24H22N4O2/c1-16(17-5-7-18(8-6-17)20-4-3-11-25-13-20)27-24-15-26-14-21(28-24)19-9-10-22(29)23(12-19)30-2/h3-16,29H,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyXYELFVFIXOYHKD-MRXNPFEDSA-N
XLogP5.09
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol with MolForge

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Related Compounds

methane;2-methoxy-4-[6-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazin-2-yl]phenol
CID 158200755
N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
CID 135464358
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 58717096
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 59331690
N-[3-[(1S)-1-[[6-[4-(hydroxyamino)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 136948358
5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133485202
cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
CID 142832215
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
CID 43678633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol (CID 135525328) is 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol is COc1cc(-c2cncc(N[C@H](C)c3ccc(-c4cccnc4)cc3)n2)ccc1O.
What is the InChIKey of 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol?
The InChIKey is XYELFVFIXOYHKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(17-5-7-18(8-6-17)20-4-3-11-25-13-20)27-24-15-26-14-21(28-24)19-9-10-22(29)23(12-19)30-2/h3-16,29H,1-2H3,(H,27,28)/t16-/m1/s1.
What are the key properties of 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol?
2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol has a molecular weight of 398.47 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol is sourced from PubChem (CID 135525328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).