3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone

C25H30N6O2 — CID 91950692

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESCCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1
InChIInChI=1S/C25H30N6O2/c1-3-6-22-28-24(33-29-22)21-15-26-17(2)27-23(21)30-12-10-19(11-13-30)25(32)31-14-9-18-7-4-5-8-20(18)16-31/h4-5,7-8,15,19H,3,6,9-14,16H2,1-2H3
InChIKeyLVBLXWXOLVOGHX-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.59
Rot. Bonds5

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone (PubChem CID 91950692) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
PubChem CID91950692
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESCCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1
InChIInChI=1S/C25H30N6O2/c1-3-6-22-28-24(33-29-22)21-15-26-17(2)27-23(21)30-12-10-19(11-13-30)25(32)31-14-9-18-7-4-5-8-20(18)16-31/h4-5,7-8,15,19H,3,6,9-14,16H2,1-2H3
InChIKeyLVBLXWXOLVOGHX-UHFFFAOYSA-N
XLogP3.59
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91950693
N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91950681
1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 91950689
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 171996071
3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 47025103
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
CID 91950648
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91950660
3,4-dihydro-1H-isoquinolin-2-yl-[5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 53179011
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 146041850
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 171994811
3,4-dihydro-1H-isoquinolin-2-yl-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 171994717

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone (CID 91950692) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone is CCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is LVBLXWXOLVOGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-3-6-22-28-24(33-29-22)21-15-26-17(2)27-23(21)30-12-10-19(11-13-30)25(32)31-14-9-18-7-4-5-8-20(18)16-31/h4-5,7-8,15,19H,3,6,9-14,16H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 446.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 91950692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).