3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile

C23H22N6O3 — CID 155275823

IUPAC3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
SMILESCOc1ccc(COc2cccc(OC)c2-c2cc(NC3=NC=C(C#N)NC3)n[nH]2)cc1
InChIInChI=1S/C23H22N6O3/c1-30-17-8-6-15(7-9-17)14-32-20-5-3-4-19(31-2)23(20)18-10-21(29-28-18)27-22-13-25-16(11-24)12-26-22/h3-10,12,25H,13-14H2,1-2H3,(H2,26,27,28,29)
InChIKeyAMVWVLZEYGRIDA-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.45
Rot. Bonds7

About 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile

3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile (PubChem CID 155275823) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile.

Molecular Properties

Compound Name3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
PubChem CID155275823
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
SMILESCOc1ccc(COc2cccc(OC)c2-c2cc(NC3=NC=C(C#N)NC3)n[nH]2)cc1
InChIInChI=1S/C23H22N6O3/c1-30-17-8-6-15(7-9-17)14-32-20-5-3-4-19(31-2)23(20)18-10-21(29-28-18)27-22-13-25-16(11-24)12-26-22/h3-10,12,25H,13-14H2,1-2H3,(H2,26,27,28,29)
InChIKeyAMVWVLZEYGRIDA-UHFFFAOYSA-N
XLogP3.45
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine
CID 86654389
5-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-amine
CID 166147884
hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
CID 173055366
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
CID 86604951
(2S)-2-amino-N-[(2S)-1-[3-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]propylamino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 177233724
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
2-methoxy-8-phenylmethoxyquinoline-3-carbonitrile
CID 126622166
N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine
CID 89197637

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
The IUPAC name of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile (CID 155275823) is 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile.
What is the SMILES notation for 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
The canonical SMILES for 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile is COc1ccc(COc2cccc(OC)c2-c2cc(NC3=NC=C(C#N)NC3)n[nH]2)cc1.
What is the InChIKey of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
The InChIKey is AMVWVLZEYGRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-30-17-8-6-15(7-9-17)14-32-20-5-3-4-19(31-2)23(20)18-10-21(29-28-18)27-22-13-25-16(11-24)12-26-22/h3-10,12,25H,13-14H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile has a molecular weight of 430.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile is sourced from PubChem (CID 155275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).