3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone

C20H24N4O — CID 109259645

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
SMILESCC1CCCN(c2ncc(C(=O)N3CCc4ccccc4C3)cn2)C1
InChIInChI=1S/C20H24N4O/c1-15-5-4-9-24(13-15)20-21-11-18(12-22-20)19(25)23-10-8-16-6-2-3-7-17(16)14-23/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3
InChIKeyWIYJGFUIXDMGTB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.91
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109259645) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
PubChem CID109259645
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
SMILESCC1CCCN(c2ncc(C(=O)N3CCc4ccccc4C3)cn2)C1
InChIInChI=1S/C20H24N4O/c1-15-5-4-9-24(13-15)20-21-11-18(12-22-20)19(25)23-10-8-16-6-2-3-7-17(16)14-23/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3
InChIKeyWIYJGFUIXDMGTB-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-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

(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262221
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 46957859
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109000068
[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-5-yl]methanone
CID 51872878
N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109262348
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone (CID 109259645) is 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone is CC1CCCN(c2ncc(C(=O)N3CCc4ccccc4C3)cn2)C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
The InChIKey is WIYJGFUIXDMGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-5-4-9-24(13-15)20-21-11-18(12-22-20)19(25)23-10-8-16-6-2-3-7-17(16)14-23/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109259645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).