1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

C18H20FN5O3 — CID 177011283

IUPAC1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cc(F)c(N3CC4(CC(O)C4)C3)cc21
InChIInChI=1S/C18H20FN5O3/c1-22-13-5-14(23-8-18(9-23)6-10(25)7-18)12(19)4-11(13)16(21-22)24-3-2-15(26)20-17(24)27/h4-5,10,25H,2-3,6-9H2,1H3,(H,20,26,27)
InChIKeyPHEGYHPPXJODTA-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.12
Rot. Bonds2

About 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177011283) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177011283
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cc(F)c(N3CC4(CC(O)C4)C3)cc21
InChIInChI=1S/C18H20FN5O3/c1-22-13-5-14(23-8-18(9-23)6-10(25)7-18)12(19)4-11(13)16(21-22)24-3-2-15(26)20-17(24)27/h4-5,10,25H,2-3,6-9H2,1H3,(H,20,26,27)
InChIKeyPHEGYHPPXJODTA-UHFFFAOYSA-N
XLogP1.12
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-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

1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
tert-butyl 6-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 171565372
tert-butyl 2-[(4S)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetate
CID 166169141
7-[2-cyano-6-fluoro-3-[[2-hydroxyethyl(methyl)sulfamoyl]amino]phenoxy]-2-[1-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]quinoxaline
CID 177011926
1-[6-[4-[[(3R)-1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]piperazin-1-yl]-5-fluoro-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178129541
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
6-(3-azabicyclo[3.1.0]hexan-3-ylsulfanylamino)-2-[3-[8-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]-2-azaspiro[3.3]heptan-6-yl]-1-oxa-8-azaspiro[4.5]decan-3-yl]-4-oxoquinazolin-6-yl]oxy-3-fluorobenzonitrile
CID 177011831
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 172590089

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (CID 177011283) is 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2cc(F)c(N3CC4(CC(O)C4)C3)cc21.
What is the InChIKey of 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is PHEGYHPPXJODTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-22-13-5-14(23-8-18(9-23)6-10(25)7-18)12(19)4-11(13)16(21-22)24-3-2-15(26)20-17(24)27/h4-5,10,25H,2-3,6-9H2,1H3,(H,20,26,27).
What are the key properties of 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 373.39 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177011283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).