3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine

C22H24N4O — CID 10473695

IUPAC3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1
InChIInChI=1S/C22H24N4O/c1-3-19(4-1)25-13-9-17-5-7-21(15-18(17)10-14-25)27-22-8-6-20(16-23-22)26-12-2-11-24-26/h2,5-8,11-12,15-16,19H,1,3-4,9-10,13-14H2
InChIKeyZQUHCMSLRYODBS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.01
Rot. Bonds4

About 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine

3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 10473695) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID10473695
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1
InChIInChI=1S/C22H24N4O/c1-3-19(4-1)25-13-9-17-5-7-21(15-18(17)10-14-25)27-22-8-6-20(16-23-22)26-12-2-11-24-26/h2,5-8,11-12,15-16,19H,1,3-4,9-10,13-14H2
InChIKeyZQUHCMSLRYODBS-UHFFFAOYSA-N
XLogP4.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine (CID 10473695) is 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine is c1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1.
What is the InChIKey of 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is ZQUHCMSLRYODBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-19(4-1)25-13-9-17-5-7-21(15-18(17)10-14-25)27-22-8-6-20(16-23-22)26-12-2-11-24-26/h2,5-8,11-12,15-16,19H,1,3-4,9-10,13-14H2.
What are the key properties of 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine?
3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 360.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-[(5-pyrazol-1-yl-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 10473695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).