8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione

C17H20FN3O5 — CID 59074190

IUPAC8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
SMILESCC1COc2c(N3CCC(C(O)CO)C3)c(F)cc3c(=O)[nH]c(=O)n1c23
InChIInChI=1S/C17H20FN3O5/c1-8-7-26-15-13-10(16(24)19-17(25)21(8)13)4-11(18)14(15)20-3-2-9(5-20)12(23)6-22/h4,8-9,12,22-23H,2-3,5-7H2,1H3,(H,19,24,25)
InChIKeyZOGBYXPFPGPCIA-UHFFFAOYSA-N
MW365.36 g/mol
LogP-0.04
Rot. Bonds3

About 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione

8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione (PubChem CID 59074190) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione.

Molecular Properties

Compound Name8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
PubChem CID59074190
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
SMILESCC1COc2c(N3CCC(C(O)CO)C3)c(F)cc3c(=O)[nH]c(=O)n1c23
InChIInChI=1S/C17H20FN3O5/c1-8-7-26-15-13-10(16(24)19-17(25)21(8)13)4-11(18)14(15)20-3-2-9(5-20)12(23)6-22/h4,8-9,12,22-23H,2-3,5-7H2,1H3,(H,19,24,25)
InChIKeyZOGBYXPFPGPCIA-UHFFFAOYSA-N
XLogP-0.04
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(12S)-3-amino-7-fluoro-8-[3-[2-isocyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
CID 58944894
7-[3-[amino(cyclopropyl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione;hydrochloride
CID 10431617
1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
CID 140504612
acetonitrile;6-[3-(1-aminoethyl)pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 143050497
12-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-11-fluoro-6-hydroxy-16-methyl-14-oxa-1,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,6,9,11,13(17)-pentaene-4,8-dione
CID 139819630
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)pyrrolidin-1-yl]-8-(methoxymethyl)quinazoline-2,4-dione
CID 90926923
acetonitrile;N-[2-[1-(1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]-2-(methylamino)ethyl]acetamide
CID 143050431
7-fluoro-6-(3-hydroxypyrrolidin-1-yl)-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 13060064
1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 11372277
6-amino-8-[3-(1-aminoethyl)pyrrolidin-1-yl]-12-methyl-10-oxa-1,3,7-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione
CID 59074334
(2S)-7-fluoro-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate
CID 122187695
(2S)-7-fluoro-2-methyl-6-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylic acid
CID 135369713

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione?
The IUPAC name of 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione (CID 59074190) is 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione.
What is the SMILES notation for 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione?
The canonical SMILES for 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione is CC1COc2c(N3CCC(C(O)CO)C3)c(F)cc3c(=O)[nH]c(=O)n1c23.
What is the InChIKey of 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione?
The InChIKey is ZOGBYXPFPGPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5/c1-8-7-26-15-13-10(16(24)19-17(25)21(8)13)4-11(18)14(15)20-3-2-9(5-20)12(23)6-22/h4,8-9,12,22-23H,2-3,5-7H2,1H3,(H,19,24,25).
What are the key properties of 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione?
8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione has a molecular weight of 365.36 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione is sourced from PubChem (CID 59074190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).