2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one

C12H11FN4O — CID 176891647

IUPAC2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESCn1ncc2c(F)c(N3C(=O)NC4CC43)ccc21
InChIInChI=1S/C12H11FN4O/c1-16-8-2-3-9(11(13)6(8)5-14-16)17-10-4-7(10)15-12(17)18/h2-3,5,7,10H,4H2,1H3,(H,15,18)
InChIKeyFPRJBQYXCKJAKE-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.38
Rot. Bonds1

About 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one

2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one (PubChem CID 176891647) has the molecular formula C12H11FN4O and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one
PubChem CID176891647
Molecular FormulaC12H11FN4O
Molecular Weight246.24 g/mol
Exact Mass246.09
IUPAC Name2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESCn1ncc2c(F)c(N3C(=O)NC4CC43)ccc21
InChIInChI=1S/C12H11FN4O/c1-16-8-2-3-9(11(13)6(8)5-14-16)17-10-4-7(10)15-12(17)18/h2-3,5,7,10H,4H2,1H3,(H,15,18)
InChIKeyFPRJBQYXCKJAKE-UHFFFAOYSA-N
XLogP1.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methylindazol-5-amine
CID 84652063
4-fluoro-5-iodo-1-methylindazole
CID 176891640
1-[(1R)-4-(4-fluoro-3,5-dimethylphenyl)-4,5,9-triazatricyclo[6.1.1.02,6]deca-2,5-dien-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 177359011
1-[4-(4-fluoro-3,5-dimethylphenyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 176644884
1-[(1S,8R)-4-(4-fluoro-3,5-dimethylphenyl)-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 177288991
1-[(7S)-7-fluoro-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 177359366
1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
CID 139328412
1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
CID 139328413
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3'-hydroxy-3',4-dimethylspiro[5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-7,1'-cyclobutane]-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 176798171
methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate
CID 177288541
4-bromo-1-methylindazole-5-carbaldehyde
CID 117109426
1-[(4S)-2-(3-ethenyl-4-fluoro-5-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 177195687

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The IUPAC name of 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one (CID 176891647) is 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one is Cn1ncc2c(F)c(N3C(=O)NC4CC43)ccc21.
What is the InChIKey of 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The InChIKey is FPRJBQYXCKJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-16-8-2-3-9(11(13)6(8)5-14-16)17-10-4-7(10)15-12(17)18/h2-3,5,7,10H,4H2,1H3,(H,15,18).
What are the key properties of 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one has a molecular weight of 246.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 176891647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).