(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

C21H24N4O3 — CID 135963344

IUPAC(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
SMILESCC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)n1
InChIInChI=1S/C21H24N4O3/c1-12(2)15-10-18(26)24-20(22-15)17-8-5-9-25(17)19(27)11-16-13-6-3-4-7-14(13)21(28)23-16/h3-4,6-7,10,12,16-17H,5,8-9,11H2,1-2H3,(H,23,28)(H,22,24,26)/t16-,17-/m1/s1
InChIKeyKSTOQNIGACUVCO-IAGOWNOFSA-N
MW380.45 g/mol
LogP2.43
Rot. Bonds4

About (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one (PubChem CID 135963344) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
PubChem CID135963344
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
SMILESCC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)n1
InChIInChI=1S/C21H24N4O3/c1-12(2)15-10-18(26)24-20(22-15)17-8-5-9-25(17)19(27)11-16-13-6-3-4-7-14(13)21(28)23-16/h3-4,6-7,10,12,16-17H,5,8-9,11H2,1-2H3,(H,23,28)(H,22,24,26)/t16-,17-/m1/s1
InChIKeyKSTOQNIGACUVCO-IAGOWNOFSA-N
XLogP2.43
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one (CID 135963344) is (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one is CC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)n1.
What is the InChIKey of (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
The InChIKey is KSTOQNIGACUVCO-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12(2)15-10-18(26)24-20(22-15)17-8-5-9-25(17)19(27)11-16-13-6-3-4-7-14(13)21(28)23-16/h3-4,6-7,10,12,16-17H,5,8-9,11H2,1-2H3,(H,23,28)(H,22,24,26)/t16-,17-/m1/s1.
What are the key properties of (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one has a molecular weight of 380.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 135963344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).