4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

C23H22N4O — CID 11726644

IUPAC4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCOc1ccc2c(C3CCCCn4nc(-c5ccccn5)cc43)ccnc2c1
InChIInChI=1S/C23H22N4O/c1-28-16-8-9-18-17(10-12-25-21(18)14-16)19-6-3-5-13-27-23(19)15-22(26-27)20-7-2-4-11-24-20/h2,4,7-12,14-15,19H,3,5-6,13H2,1H3
InChIKeyPVIMGMNDABFOQQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.82
Rot. Bonds3

About 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (PubChem CID 11726644) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.

Molecular Properties

Compound Name4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
PubChem CID11726644
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCOc1ccc2c(C3CCCCn4nc(-c5ccccn5)cc43)ccnc2c1
InChIInChI=1S/C23H22N4O/c1-28-16-8-9-18-17(10-12-25-21(18)14-16)19-6-3-5-13-27-23(19)15-22(26-27)20-7-2-4-11-24-20/h2,4,7-12,14-15,19H,3,5-6,13H2,1H3
InChIKeyPVIMGMNDABFOQQ-UHFFFAOYSA-N
XLogP4.82
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine with MolForge

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The IUPAC name of 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (CID 11726644) is 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.
What is the SMILES notation for 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The canonical SMILES for 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is COc1ccc2c(C3CCCCn4nc(-c5ccccn5)cc43)ccnc2c1.
What is the InChIKey of 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The InChIKey is PVIMGMNDABFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-28-16-8-9-18-17(10-12-25-21(18)14-16)19-6-3-5-13-27-23(19)15-22(26-27)20-7-2-4-11-24-20/h2,4,7-12,14-15,19H,3,5-6,13H2,1H3.
What are the key properties of 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine has a molecular weight of 370.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is sourced from PubChem (CID 11726644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).