7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one

C19H24N4O3 — CID 149382006

IUPAC7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
SMILESCOc1ccc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nn1
InChIInChI=1S/C19H24N4O3/c1-19(25)10-14(24)9-13-11-20-18(17(13)19)12-5-7-23(8-6-12)15-3-4-16(26-2)22-21-15/h3-4,12,25H,5-11H2,1-2H3
InChIKeyYLVJGEJTJRSEIL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.57
Rot. Bonds3

About 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one

7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one (PubChem CID 149382006) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one.

Molecular Properties

Compound Name7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
PubChem CID149382006
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
SMILESCOc1ccc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nn1
InChIInChI=1S/C19H24N4O3/c1-19(25)10-14(24)9-13-11-20-18(17(13)19)12-5-7-23(8-6-12)15-3-4-16(26-2)22-21-15/h3-4,12,25H,5-11H2,1-2H3
InChIKeyYLVJGEJTJRSEIL-UHFFFAOYSA-N
XLogP1.57
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158317965
7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one
CID 157159946
7-hydroxy-1-[1-(3-isocyanophenyl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158103761
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
(6R,7R)-6-hydroxy-1-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]-7-(trifluoromethyl)-3,4,6,7-tetrahydroisoindol-5-one
CID 159423948
N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71708418
6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97496285
(1R,2S,6S,7R)-4-(6-methoxypyridazin-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98185514
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The IUPAC name of 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one (CID 149382006) is 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one.
What is the SMILES notation for 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The canonical SMILES for 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one is COc1ccc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nn1.
What is the InChIKey of 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The InChIKey is YLVJGEJTJRSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(25)10-14(24)9-13-11-20-18(17(13)19)12-5-7-23(8-6-12)15-3-4-16(26-2)22-21-15/h3-4,12,25H,5-11H2,1-2H3.
What are the key properties of 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one?
7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one has a molecular weight of 356.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one is sourced from PubChem (CID 149382006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).