1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride

C22H30ClN7O3 — CID 121281670

IUPAC1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride
SMILESCOc1cc(CCN[C@H](C)CN2CCOCC2)ccc1NC(=O)Nc1cnc(C#N)cn1.Cl
InChIInChI=1S/C22H29N7O3.ClH/c1-16(15-29-7-9-32-10-8-29)24-6-5-17-3-4-19(20(11-17)31-2)27-22(30)28-21-14-25-18(12-23)13-26-21;/h3-4,11,13-14,16,24H,5-10,15H2,1-2H3,(H2,26,27,28,30);1H/t16-;/m1./s1
InChIKeyWLUZNOVTMJDZGL-PKLMIRHRSA-N
MW475.98 g/mol
LogP2.28
Rot. Bonds9

About 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride

1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride (PubChem CID 121281670) has the molecular formula C22H30ClN7O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride
PubChem CID121281670
Molecular FormulaC22H30ClN7O3
Molecular Weight475.98 g/mol
Exact Mass475.21
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride
SMILESCOc1cc(CCN[C@H](C)CN2CCOCC2)ccc1NC(=O)Nc1cnc(C#N)cn1.Cl
InChIInChI=1S/C22H29N7O3.ClH/c1-16(15-29-7-9-32-10-8-29)24-6-5-17-3-4-19(20(11-17)31-2)27-22(30)28-21-14-25-18(12-23)13-26-21;/h3-4,11,13-14,16,24H,5-10,15H2,1-2H3,(H2,26,27,28,30);1H/t16-;/m1./s1
InChIKeyWLUZNOVTMJDZGL-PKLMIRHRSA-N
XLogP2.28
TPSA124.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea
CID 130381949
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 75456130
1-[5-chloro-2-methoxy-4-[2-[(4-methoxyphenyl)methylamino]ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596278
5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 146047519
1-[5-bromo-4-[2-[(4-fluorophenyl)methylamino]ethyl]-2-methoxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596349
1-[5-chloro-2-methoxy-4-[2-(2-oxoethylamino)ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 129065806
1-[4-[2-[benzyl(methyl)amino]ethyl]-5-chloro-2-methoxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 89431978
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046301
5-[[5-[4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 158433592
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108836269
formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 154909557

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride (CID 121281670) is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride is COc1cc(CCN[C@H](C)CN2CCOCC2)ccc1NC(=O)Nc1cnc(C#N)cn1.Cl.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride?
The InChIKey is WLUZNOVTMJDZGL-PKLMIRHRSA-N. The full InChI is InChI=1S/C22H29N7O3.ClH/c1-16(15-29-7-9-32-10-8-29)24-6-5-17-3-4-19(20(11-17)31-2)27-22(30)28-21-14-25-18(12-23)13-26-21;/h3-4,11,13-14,16,24H,5-10,15H2,1-2H3,(H2,26,27,28,30);1H/t16-;/m1./s1.
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride?
1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride has a molecular weight of 475.98 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride is sourced from PubChem (CID 121281670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).