1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one

C22H28N4O2 — CID 158317965

IUPAC1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
SMILESCc1cc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc(C2CC2)n1
InChIInChI=1S/C22H28N4O2/c1-13-9-18(25-21(24-13)15-3-4-15)26-7-5-14(6-8-26)20-19-16(12-23-20)10-17(27)11-22(19,2)28/h9,14-15,28H,3-8,10-12H2,1-2H3
InChIKeyGOMQIDCHBIZKCB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.74
Rot. Bonds3

About 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one

1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one (PubChem CID 158317965) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one.

Molecular Properties

Compound Name1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
PubChem CID158317965
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
SMILESCc1cc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc(C2CC2)n1
InChIInChI=1S/C22H28N4O2/c1-13-9-18(25-21(24-13)15-3-4-15)26-7-5-14(6-8-26)20-19-16(12-23-20)10-17(27)11-22(19,2)28/h9,14-15,28H,3-8,10-12H2,1-2H3
InChIKeyGOMQIDCHBIZKCB-UHFFFAOYSA-N
XLogP2.74
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one 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

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158527003
7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 149382006
7-hydroxy-1-[1-(3-isocyanophenyl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158103761
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
5-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 71976428
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348936
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172892797
8-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyrazine
CID 166605243
(6S,7R)-6-hydroxy-1-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-7-(trifluoromethyl)-3,4,6,7-tetrahydroisoindol-5-one
CID 160831562
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166603155

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The IUPAC name of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one (CID 158317965) is 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one.
What is the SMILES notation for 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The canonical SMILES for 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one is Cc1cc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc(C2CC2)n1.
What is the InChIKey of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The InChIKey is GOMQIDCHBIZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-13-9-18(25-21(24-13)15-3-4-15)26-7-5-14(6-8-26)20-19-16(12-23-20)10-17(27)11-22(19,2)28/h9,14-15,28H,3-8,10-12H2,1-2H3.
What are the key properties of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one has a molecular weight of 380.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one is sourced from PubChem (CID 158317965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).