5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine

C22H20BrN5O3 — CID 86654389

IUPAC5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine
SMILESCOc1ccc(COc2cccc(OC)c2-c2cc(Nc3cnc(Br)cn3)n[nH]2)cc1
InChIInChI=1S/C22H20BrN5O3/c1-29-15-8-6-14(7-9-15)13-31-18-5-3-4-17(30-2)22(18)16-10-20(28-27-16)26-21-12-24-19(23)11-25-21/h3-12H,13H2,1-2H3,(H2,25,26,27,28)
InChIKeyYPTALPQWUFKVJM-UHFFFAOYSA-N
MW482.34 g/mol
LogP4.97
Rot. Bonds8

About 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine

5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine (PubChem CID 86654389) has the molecular formula C22H20BrN5O3 and a molecular weight of 482.34 g/mol. Its IUPAC name is 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine
PubChem CID86654389
Molecular FormulaC22H20BrN5O3
Molecular Weight482.34 g/mol
Exact Mass481.07
IUPAC Name5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine
SMILESCOc1ccc(COc2cccc(OC)c2-c2cc(Nc3cnc(Br)cn3)n[nH]2)cc1
InChIInChI=1S/C22H20BrN5O3/c1-29-15-8-6-14(7-9-15)13-31-18-5-3-4-17(30-2)22(18)16-10-20(28-27-16)26-21-12-24-19(23)11-25-21/h3-12H,13H2,1-2H3,(H2,25,26,27,28)
InChIKeyYPTALPQWUFKVJM-UHFFFAOYSA-N
XLogP4.97
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
CID 155275823
N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine
CID 89197637
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
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
(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
5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
CID 134183192
N-[5-[4-[(benzylamino)methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]-5-isocyanopyrazin-2-amine
CID 140756669
5-[[5-[4-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294648
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one
CID 141265886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
The IUPAC name of 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine (CID 86654389) is 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine is COc1ccc(COc2cccc(OC)c2-c2cc(Nc3cnc(Br)cn3)n[nH]2)cc1.
What is the InChIKey of 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
The InChIKey is YPTALPQWUFKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O3/c1-29-15-8-6-14(7-9-15)13-31-18-5-3-4-17(30-2)22(18)16-10-20(28-27-16)26-21-12-24-19(23)11-25-21/h3-12H,13H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine has a molecular weight of 482.34 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 86654389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).