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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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).