4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine

C20H19N5O — CID 123986065

IUPAC4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine
SMILESCn1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=N3)c1
InChIInChI=1S/C20H19N5O/c1-24-12-18(22-13-24)14-2-3-17-16(10-14)20(23-17)15-4-5-21-19(11-15)25-6-8-26-9-7-25/h2-5,10-13H,6-9H2,1H3
InChIKeyOYIZUYYKMCSAQK-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.80
Rot. Bonds3

About 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine

4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine (PubChem CID 123986065) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine
PubChem CID123986065
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine
SMILESCn1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=N3)c1
InChIInChI=1S/C20H19N5O/c1-24-12-18(22-13-24)14-2-3-17-16(10-14)20(23-17)15-4-5-21-19(11-15)25-6-8-26-9-7-25/h2-5,10-13H,6-9H2,1H3
InChIKeyOYIZUYYKMCSAQK-UHFFFAOYSA-N
XLogP2.80
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine 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

4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde
CID 144697800
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
bis(4-[4-[6-(3-methoxypyrazin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine);3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-1H-pyrazin-2-one
CID 158237842
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
CID 85472354
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
8-[2-(4-methylsulfanyl-1,4-diazepan-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123221378
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine (CID 123986065) is 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine is Cn1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=N3)c1.
What is the InChIKey of 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine?
The InChIKey is OYIZUYYKMCSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24-12-18(22-13-24)14-2-3-17-16(10-14)20(23-17)15-4-5-21-19(11-15)25-6-8-26-9-7-25/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine?
4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine has a molecular weight of 345.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 123986065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).