1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione

C15H15FN4O2 — CID 178164135

IUPAC1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESC=C(C)c1ccc2c(N3CCC(=O)NC3=O)nn(C)c2c1F
InChIInChI=1S/C15H15FN4O2/c1-8(2)9-4-5-10-13(12(9)16)19(3)18-14(10)20-7-6-11(21)17-15(20)22/h4-5H,1,6-7H2,2-3H3,(H,17,21,22)
InChIKeyCQPICOQDYIJPLI-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.19
Rot. Bonds2

About 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione

1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 178164135) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID178164135
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESC=C(C)c1ccc2c(N3CCC(=O)NC3=O)nn(C)c2c1F
InChIInChI=1S/C15H15FN4O2/c1-8(2)9-4-5-10-13(12(9)16)19(3)18-14(10)20-7-6-11(21)17-15(20)22/h4-5H,1,6-7H2,2-3H3,(H,17,21,22)
InChIKeyCQPICOQDYIJPLI-UHFFFAOYSA-N
XLogP2.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 177160699
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1-methylindazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162726023
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 176736496
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171821068
1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-4-carbaldehyde
CID 172630164
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide
CID 166912146
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione (CID 178164135) is 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione is C=C(C)c1ccc2c(N3CCC(=O)NC3=O)nn(C)c2c1F.
What is the InChIKey of 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is CQPICOQDYIJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-8(2)9-4-5-10-13(12(9)16)19(3)18-14(10)20-7-6-11(21)17-15(20)22/h4-5H,1,6-7H2,2-3H3,(H,17,21,22).
What are the key properties of 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 302.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178164135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).