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

C26H31FN6O5 — CID 143989360

IUPAC7-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
SMILESCOc1ccc2c(c1F)C(=O)N(C)C2.[H]/N=C(/C=C\c1ccc(C2NC(=O)NC2=O)o1)N1CCCN(C)CC1
InChIInChI=1S/C16H21N5O3.C10H10FNO2/c1-20-7-2-8-21(10-9-20)13(17)6-4-11-3-5-12(24-11)14-15(22)19-16(23)18-14;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h3-6,14,17H,2,7-10H2,1H3,(H2,18,19,22,23);3-4H,5H2,1-2H3/b6-4-,17-13-;
InChIKeyYEPQQXOGZZIDIS-SDPRHGNCSA-N
MW526.57 g/mol
LogP2.21
Rot. Bonds4

About 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

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 (PubChem CID 143989360) has the molecular formula C26H31FN6O5 and a molecular weight of 526.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID143989360
Molecular FormulaC26H31FN6O5
Molecular Weight526.57 g/mol
Exact Mass526.23
IUPAC Name7-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
SMILESCOc1ccc2c(c1F)C(=O)N(C)C2.[H]/N=C(/C=C\c1ccc(C2NC(=O)NC2=O)o1)N1CCCN(C)CC1
InChIInChI=1S/C16H21N5O3.C10H10FNO2/c1-20-7-2-8-21(10-9-20)13(17)6-4-11-3-5-12(24-11)14-15(22)19-16(23)18-14;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h3-6,14,17H,2,7-10H2,1H3,(H2,18,19,22,23);3-4H,5H2,1-2H3/b6-4-,17-13-;
InChIKeyYEPQQXOGZZIDIS-SDPRHGNCSA-N
XLogP2.21
TPSA131.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

acetylene;5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989146
7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143990286
5-[5-[3-(aminomethyl)piperidin-1-yl]-6H-furo[3,2-b]azepin-2-yl]imidazolidine-2,4-dione;ethane;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989205
5-[5-(2-amino-4H-azepin-6-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989954
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
CID 143989241
5-(4,8a-dihydro-3aH-furo[3,2-b]azepin-2-yl)imidazolidine-2,4-dione;7-bromo-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990490
5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
CID 143989957
5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one
CID 143990246
(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
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
7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
CID 91570912
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1F)C(=O)N(C)C2.[H]/N=C(/C=C\c1ccc(C2NC(=O)NC2=O)o1)N1CCCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is YEPQQXOGZZIDIS-SDPRHGNCSA-N. The full InChI is InChI=1S/C16H21N5O3.C10H10FNO2/c1-20-7-2-8-21(10-9-20)13(17)6-4-11-3-5-12(24-11)14-15(22)19-16(23)18-14;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h3-6,14,17H,2,7-10H2,1H3,(H2,18,19,22,23);3-4H,5H2,1-2H3/b6-4-,17-13-;.
What are the key properties of 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?
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 has a molecular weight of 526.57 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143989360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).