isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C28H27N3O2 — CID 110091884

IUPACisoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C)nc(C3CCCN(C(=O)c4nccc5ccccc45)C3)c2)cc1
InChIInChI=1S/C28H27N3O2/c1-19-16-23(20-9-11-24(33-2)12-10-20)17-26(30-19)22-7-5-15-31(18-22)28(32)27-25-8-4-3-6-21(25)13-14-29-27/h3-4,6,8-14,16-17,22H,5,7,15,18H2,1-2H3
InChIKeyXQMNJHJMBQFHAZ-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.63
Rot. Bonds4

About isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110091884) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110091884
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Nameisoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C)nc(C3CCCN(C(=O)c4nccc5ccccc45)C3)c2)cc1
InChIInChI=1S/C28H27N3O2/c1-19-16-23(20-9-11-24(33-2)12-10-20)17-26(30-19)22-7-5-15-31(18-22)28(32)27-25-8-4-3-6-21(25)13-14-29-27/h3-4,6,8-14,16-17,22H,5,7,15,18H2,1-2H3
InChIKeyXQMNJHJMBQFHAZ-UHFFFAOYSA-N
XLogP5.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]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

[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
(4-ethylthiadiazol-5-yl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092300
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110091884) is isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is COc1ccc(-c2cc(C)nc(C3CCCN(C(=O)c4nccc5ccccc45)C3)c2)cc1.
What is the InChIKey of isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is XQMNJHJMBQFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-19-16-23(20-9-11-24(33-2)12-10-20)17-26(30-19)22-7-5-15-31(18-22)28(32)27-25-8-4-3-6-21(25)13-14-29-27/h3-4,6,8-14,16-17,22H,5,7,15,18H2,1-2H3.
What are the key properties of isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 437.54 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110091884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).