1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea

C18H22ClN5O2 — CID 58842152

IUPAC1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cc(Cl)ccc1CCCN1CCOCC1
InChIInChI=1S/C18H22ClN5O2/c19-15-4-3-14(2-1-7-24-8-10-26-11-9-24)16(12-15)22-18(25)23-17-13-20-5-6-21-17/h3-6,12-13H,1-2,7-11H2,(H2,21,22,23,25)
InChIKeyZGMAHDPUECCKHP-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.04
Rot. Bonds6

About 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea

1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea (PubChem CID 58842152) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea
PubChem CID58842152
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cc(Cl)ccc1CCCN1CCOCC1
InChIInChI=1S/C18H22ClN5O2/c19-15-4-3-14(2-1-7-24-8-10-26-11-9-24)16(12-15)22-18(25)23-17-13-20-5-6-21-17/h3-6,12-13H,1-2,7-11H2,(H2,21,22,23,25)
InChIKeyZGMAHDPUECCKHP-UHFFFAOYSA-N
XLogP3.04
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea 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-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-pyrazin-2-ylurea
CID 22046416
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046301
1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492463
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(4-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492464
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
2-morpholin-4-yl-2-oxo-N-pyrazin-2-ylacetamide
CID 117061770
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea (CID 58842152) is 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1cc(Cl)ccc1CCCN1CCOCC1.
What is the InChIKey of 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea?
The InChIKey is ZGMAHDPUECCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-15-4-3-14(2-1-7-24-8-10-26-11-9-24)16(12-15)22-18(25)23-17-13-20-5-6-21-17/h3-6,12-13H,1-2,7-11H2,(H2,21,22,23,25).
What are the key properties of 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea?
1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea has a molecular weight of 375.86 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 58842152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).