5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine

C28H29N5O5 — CID 143990083

IUPAC5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine
SMILESC1=Cc2c(ccnc2-c2ccncc2)CO1.CCC1NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H10N2O.C10H11NO2.C5H8N2O2/c1-5-14-6-2-10(1)13-12-4-8-16-9-11(12)3-7-15-13;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2-3-4(8)7-5(9)6-3/h1-8H,9H2;3-5H,6H2,1-2H3;3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyAIUBHNFKHDOXIC-UHFFFAOYSA-N
MW515.57 g/mol
LogP3.53
Rot. Bonds3

About 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine

5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine (PubChem CID 143990083) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine.

Molecular Properties

Compound Name5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine
PubChem CID143990083
Molecular FormulaC28H29N5O5
Molecular Weight515.57 g/mol
Exact Mass515.22
IUPAC Name5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine
SMILESC1=Cc2c(ccnc2-c2ccncc2)CO1.CCC1NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H10N2O.C10H11NO2.C5H8N2O2/c1-5-14-6-2-10(1)13-12-4-8-16-9-11(12)3-7-15-13;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2-3-4(8)7-5(9)6-3/h1-8H,9H2;3-5H,6H2,1-2H3;3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyAIUBHNFKHDOXIC-UHFFFAOYSA-N
XLogP3.53
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine with MolForge

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Related Compounds

(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 143989560
6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143510757
6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione
CID 143510664
N-cyclopropylformamide;6-methoxy-2-methyl-3H-isoindol-1-one;5-[(6-methyl-4H-furo[3,2-c]azepin-2-yl)methyl]imidazolidine-2,4-dione
CID 143989330
6-methoxy-2-methyl-3H-isoindol-1-one;methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 143991222
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-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990846
5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143991283
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
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
5-[2-[4-[(Z)-C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143991500

Frequently Asked Questions

What is the IUPAC name of 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine?
The IUPAC name of 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) is 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine.
What is the SMILES notation for 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine?
The canonical SMILES for 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine is C1=Cc2c(ccnc2-c2ccncc2)CO1.CCC1NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine?
The InChIKey is AIUBHNFKHDOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O.C10H11NO2.C5H8N2O2/c1-5-14-6-2-10(1)13-12-4-8-16-9-11(12)3-7-15-13;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2-3-4(8)7-5(9)6-3/h1-8H,9H2;3-5H,6H2,1-2H3;3H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine?
5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine has a molecular weight of 515.57 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine is sourced from PubChem (CID 143990083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).