(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone

C21H24FN3O2 — CID 122615010

IUPAC(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)CCN(C1CCN(C(=O)c3ccc(F)nc3)CC1)C2
InChIInChI=1S/C21H24FN3O2/c1-27-19-4-2-17-14-25(9-6-15(17)12-19)18-7-10-24(11-8-18)21(26)16-3-5-20(22)23-13-16/h2-5,12-13,18H,6-11,14H2,1H3
InChIKeyXPGFYOLJCGLPGY-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.89
Rot. Bonds3

About (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone

(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone (PubChem CID 122615010) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
PubChem CID122615010
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)CCN(C1CCN(C(=O)c3ccc(F)nc3)CC1)C2
InChIInChI=1S/C21H24FN3O2/c1-27-19-4-2-17-14-25(9-6-15(17)12-19)18-7-10-24(11-8-18)21(26)16-3-5-20(22)23-13-16/h2-5,12-13,18H,6-11,14H2,1H3
InChIKeyXPGFYOLJCGLPGY-UHFFFAOYSA-N
XLogP2.89
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-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

[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[2-(1-methoxybutan-2-ylamino)pyrimidin-5-yl]methanone
CID 118191002
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
CID 63973141
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 118183032
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
[4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[2-(1-methoxybutan-2-ylamino)pyrimidin-5-yl]methanone
CID 118191102
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
(6-fluoro-3-pyridinyl)-[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 96568758

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone (CID 122615010) is (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone is COc1ccc2c(c1)CCN(C1CCN(C(=O)c3ccc(F)nc3)CC1)C2.
What is the InChIKey of (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The InChIKey is XPGFYOLJCGLPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-27-19-4-2-17-14-25(9-6-15(17)12-19)18-7-10-24(11-8-18)21(26)16-3-5-20(22)23-13-16/h2-5,12-13,18H,6-11,14H2,1H3.
What are the key properties of (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone has a molecular weight of 369.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 122615010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).