5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C23H32N8O2 — CID 146047519

IUPAC5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(CN(C)CCN2CCOCC2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C23H32N8O2/c1-30(5-6-31-7-9-33-10-8-31)16-17-3-4-19(21(11-17)32-2)20-12-22(29-28-20)27-23-15-25-18(13-24)14-26-23/h3-4,11,14-15,20,22,28-29H,5-10,12,16H2,1-2H3,(H,26,27)
InChIKeyDDXANFLJNNBCHG-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.10
Rot. Bonds9

About 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 146047519) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID146047519
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC Name5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(CN(C)CCN2CCOCC2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C23H32N8O2/c1-30(5-6-31-7-9-33-10-8-31)16-17-3-4-19(21(11-17)32-2)20-12-22(29-28-20)27-23-15-25-18(13-24)14-26-23/h3-4,11,14-15,20,22,28-29H,5-10,12,16H2,1-2H3,(H,26,27)
InChIKeyDDXANFLJNNBCHG-UHFFFAOYSA-N
XLogP1.10
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride
CID 121281670
2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764
5-[[5-[2-methoxy-4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294740
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea
CID 130381949
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 106786936
1-[4-[2-[benzyl(methyl)amino]ethyl]-5-chloro-2-methoxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 89431978
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17065621
1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065944
2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 146047519) is 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(CN(C)CCN2CCOCC2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is DDXANFLJNNBCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-30(5-6-31-7-9-33-10-8-31)16-17-3-4-19(21(11-17)32-2)20-12-22(29-28-20)27-23-15-25-18(13-24)14-26-23/h3-4,11,14-15,20,22,28-29H,5-10,12,16H2,1-2H3,(H,26,27).
What are the key properties of 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 452.56 g/mol, XLogP of 1.10, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146047519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).