(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone

C18H15ClN4O — CID 155964265

IUPAC(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2cccnc2)c1)N1CCc2cccc(Cl)c2C1
InChIInChI=1S/C18H15ClN4O/c19-17-5-1-3-13-6-8-22(12-16(13)17)18(24)14-9-21-23(11-14)15-4-2-7-20-10-15/h1-5,7,9-11H,6,8,12H2
InChIKeyKGVAPCLPLZAEEJ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.12
Rot. Bonds2

About (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone

(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone (PubChem CID 155964265) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone
PubChem CID155964265
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2cccnc2)c1)N1CCc2cccc(Cl)c2C1
InChIInChI=1S/C18H15ClN4O/c19-17-5-1-3-13-6-8-22(12-16(13)17)18(24)14-9-21-23(11-14)15-4-2-7-20-10-15/h1-5,7,9-11H,6,8,12H2
InChIKeyKGVAPCLPLZAEEJ-UHFFFAOYSA-N
XLogP3.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone 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

azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-ethyl-1,3-thiazol-2-yl)pyrazol-4-yl]methanone
CID 155945489
(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370965
[1-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3,4,5-trichlorophenyl)methanone
CID 171681503
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126803034
8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128688876
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
CID 114522694

Frequently Asked Questions

What is the IUPAC name of (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone (CID 155964265) is (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone is O=C(c1cnn(-c2cccnc2)c1)N1CCc2cccc(Cl)c2C1.
What is the InChIKey of (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
The InChIKey is KGVAPCLPLZAEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-17-5-1-3-13-6-8-22(12-16(13)17)18(24)14-9-21-23(11-14)15-4-2-7-20-10-15/h1-5,7,9-11H,6,8,12H2.
What are the key properties of (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone has a molecular weight of 338.80 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 155964265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).