5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride

C22H27ClN8O — CID 142751525

IUPAC5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
SMILESCCN1CCN(c2ccc(-c3cc(Nc4cnc(C#N)cn4)n[nH]3)c(OC)c2)C[C@H]1C.Cl
InChIInChI=1S/C22H26N8O.ClH/c1-4-29-7-8-30(14-15(29)2)17-5-6-18(20(9-17)31-3)19-10-21(28-27-19)26-22-13-24-16(11-23)12-25-22;/h5-6,9-10,12-13,15H,4,7-8,14H2,1-3H3,(H2,25,26,27,28);1H/t15-;/m1./s1
InChIKeyVEEXWEGGSZOHII-XFULWGLBSA-N
MW454.97 g/mol
LogP3.44
Rot. Bonds6

About 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride

5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride (PubChem CID 142751525) has the molecular formula C22H27ClN8O and a molecular weight of 454.97 g/mol. Its IUPAC name is 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
PubChem CID142751525
Molecular FormulaC22H27ClN8O
Molecular Weight454.97 g/mol
Exact Mass454.20
IUPAC Name5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
SMILESCCN1CCN(c2ccc(-c3cc(Nc4cnc(C#N)cn4)n[nH]3)c(OC)c2)C[C@H]1C.Cl
InChIInChI=1S/C22H26N8O.ClH/c1-4-29-7-8-30(14-15(29)2)17-5-6-18(20(9-17)31-3)19-10-21(28-27-19)26-22-13-24-16(11-23)12-25-22;/h5-6,9-10,12-13,15H,4,7-8,14H2,1-3H3,(H2,25,26,27,28);1H/t15-;/m1./s1
InChIKeyVEEXWEGGSZOHII-XFULWGLBSA-N
XLogP3.44
TPSA105.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.97
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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5-[[5-[4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
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5-[[5-[2-methoxy-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
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5-[[5-[4-(3-fluoro-1-methylazetidin-3-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
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5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile
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5-[[5-[2-methoxy-4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
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tert-butyl 4-[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenyl]-4-fluoropiperidine-1-carboxylate
CID 118294597
5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
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hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride (CID 142751525) is 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride is CCN1CCN(c2ccc(-c3cc(Nc4cnc(C#N)cn4)n[nH]3)c(OC)c2)C[C@H]1C.Cl.
What is the InChIKey of 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
The InChIKey is VEEXWEGGSZOHII-XFULWGLBSA-N. The full InChI is InChI=1S/C22H26N8O.ClH/c1-4-29-7-8-30(14-15(29)2)17-5-6-18(20(9-17)31-3)19-10-21(28-27-19)26-22-13-24-16(11-23)12-25-22;/h5-6,9-10,12-13,15H,4,7-8,14H2,1-3H3,(H2,25,26,27,28);1H/t15-;/m1./s1.
What are the key properties of 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride has a molecular weight of 454.97 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 142751525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).