(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one

C29H28N8O5 — CID 143990085

IUPAC(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)C(=O)N(C)CC2.NC(/C=C\c1ccc(C2NC(=O)NC2=O)o1)=N\c1ccc(-c2cn[nH]c2)cn1
InChIInChI=1S/C18H15N7O3.C11H13NO2/c19-14(23-15-6-1-10(7-20-15)11-8-21-22-9-11)5-3-12-2-4-13(28-12)16-17(26)25-18(27)24-16;1-12-6-5-8-3-4-9(14-2)7-10(8)11(12)13/h1-9,16H,(H,21,22)(H2,19,20,23)(H2,24,25,26,27);3-4,7H,5-6H2,1-2H3/b5-3-;
InChIKeyAXWCIJIMCYXIPP-FBZPGIPVSA-N
MW568.59 g/mol
LogP2.97
Rot. Bonds6

About (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one

(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 143990085) has the molecular formula C29H28N8O5 and a molecular weight of 568.59 g/mol. Its IUPAC name is (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID143990085
Molecular FormulaC29H28N8O5
Molecular Weight568.59 g/mol
Exact Mass568.22
IUPAC Name(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)C(=O)N(C)CC2.NC(/C=C\c1ccc(C2NC(=O)NC2=O)o1)=N\c1ccc(-c2cn[nH]c2)cn1
InChIInChI=1S/C18H15N7O3.C11H13NO2/c19-14(23-15-6-1-10(7-20-15)11-8-21-22-9-11)5-3-12-2-4-13(28-12)16-17(26)25-18(27)24-16;1-12-6-5-8-3-4-9(14-2)7-10(8)11(12)13/h1-9,16H,(H,21,22)(H2,19,20,23)(H2,24,25,26,27);3-4,7H,5-6H2,1-2H3/b5-3-;
InChIKeyAXWCIJIMCYXIPP-FBZPGIPVSA-N
XLogP2.97
TPSA180.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.59
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

5-[6-[(4-ethylpiperazin-1-yl)-(hydroxyamino)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 143989476
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
5-[2-[4-amino-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]ethynyl]imidazolidine-2,4-dione;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 143990919
2-ethyl-6-methoxy-3H-isoindol-1-one;5-[5-[(Z)-3-methylimino-4-[1-(2-methylpropyl)pyrazol-4-yl]but-1-enyl]furan-2-yl]imidazolidine-2,4-dione
CID 143989882
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
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
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70234484
7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-[(Z)-3-imino-3-(4-methyl-1,4-diazepan-1-yl)prop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
CID 143989360
6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143510757
2-(2,5-dioxoimidazolidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;2-ethyl-6-methoxy-3H-isoindol-1-one
CID 143990548
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
5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
CID 143989957

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one (CID 143990085) is (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one is COc1ccc2c(c1)C(=O)N(C)CC2.NC(/C=C\c1ccc(C2NC(=O)NC2=O)o1)=N\c1ccc(-c2cn[nH]c2)cn1.
What is the InChIKey of (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is AXWCIJIMCYXIPP-FBZPGIPVSA-N. The full InChI is InChI=1S/C18H15N7O3.C11H13NO2/c19-14(23-15-6-1-10(7-20-15)11-8-21-22-9-11)5-3-12-2-4-13(28-12)16-17(26)25-18(27)24-16;1-12-6-5-8-3-4-9(14-2)7-10(8)11(12)13/h1-9,16H,(H,21,22)(H2,19,20,23)(H2,24,25,26,27);3-4,7H,5-6H2,1-2H3/b5-3-;.
What are the key properties of (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 568.59 g/mol, XLogP of 2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 143990085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).