6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C20H19N5O4 — CID 143510757

IUPAC6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3ncccc3[nH]2)N1
InChIInChI=1S/C10H8N4O2.C10H11NO2/c15-9-8(13-10(16)14-9)7-4-6-5(12-7)2-1-3-11-6;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-4,8,12H,(H2,13,14,15,16);3-5H,6H2,1-2H3
InChIKeyNOLIFKDPJKMDGR-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.72
Rot. Bonds2

About 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 143510757) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID143510757
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3ncccc3[nH]2)N1
InChIInChI=1S/C10H8N4O2.C10H11NO2/c15-9-8(13-10(16)14-9)7-4-6-5(12-7)2-1-3-11-6;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-4,8,12H,(H2,13,14,15,16);3-5H,6H2,1-2H3
InChIKeyNOLIFKDPJKMDGR-UHFFFAOYSA-N
XLogP1.72
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione
CID 143510664
ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990138
4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143510190
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
CID 143989241
5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989226
5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143991283
(5S)-5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990846
5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989398
1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989988
5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine
CID 143990083
6-methoxy-2-methyl-3H-isoindol-1-one;methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 143991222
6-methoxy-2-methyl-3H-isoindol-1-one;5-[(3Z,5Z)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethenyl]hepta-3,5-dien-1-ynyl]imidazolidine-2,4-dione
CID 143990866

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 143510757) is 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3ncccc3[nH]2)N1.
What is the InChIKey of 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is NOLIFKDPJKMDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2.C10H11NO2/c15-9-8(13-10(16)14-9)7-4-6-5(12-7)2-1-3-11-6;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-4,8,12H,(H2,13,14,15,16);3-5H,6H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 393.40 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 143510757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).