1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine

C19H29N7O — CID 111020713

IUPAC1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(-n2cccn2)c1)NCC(C)N1CCOCC1
InChIInChI=1S/C19H29N7O/c1-3-20-19(22-14-16(2)25-9-11-27-12-10-25)23-15-17-5-7-21-18(13-17)26-8-4-6-24-26/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyGMOHKPVORUGYRD-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.04
Rot. Bonds7

About 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine

1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (PubChem CID 111020713) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
PubChem CID111020713
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(-n2cccn2)c1)NCC(C)N1CCOCC1
InChIInChI=1S/C19H29N7O/c1-3-20-19(22-14-16(2)25-9-11-27-12-10-25)23-15-17-5-7-21-18(13-17)26-8-4-6-24-26/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyGMOHKPVORUGYRD-UHFFFAOYSA-N
XLogP1.04
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine 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-ethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111284126
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111022082
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
CID 111020935
1,3-diethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 110915022
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020934
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020732
1-ethyl-3-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111123863
1-ethyl-3-(3-methylbutan-2-yl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111000332
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111930431
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111022029
1-ethyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111347367
1-cyclohexyl-3-ethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110956930

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (CID 111020713) is 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccnc(-n2cccn2)c1)NCC(C)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The InChIKey is GMOHKPVORUGYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-3-20-19(22-14-16(2)25-9-11-27-12-10-25)23-15-17-5-7-21-18(13-17)26-8-4-6-24-26/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine has a molecular weight of 371.49 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111020713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).