cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone

C17H18FN3O — CID 164524659

IUPACcyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone
SMILESCn1ncc2c1c1ccc(F)cc1n2C(=O)C1CCCCC1
InChIInChI=1S/C17H18FN3O/c1-20-16-13-8-7-12(18)9-14(13)21(15(16)10-19-20)17(22)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKeyAWKMILNMSUJHDL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.89
Rot. Bonds1

About cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone

cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone (PubChem CID 164524659) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone
PubChem CID164524659
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Namecyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone
SMILESCn1ncc2c1c1ccc(F)cc1n2C(=O)C1CCCCC1
InChIInChI=1S/C17H18FN3O/c1-20-16-13-8-7-12(18)9-14(13)21(15(16)10-19-20)17(22)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKeyAWKMILNMSUJHDL-UHFFFAOYSA-N
XLogP3.89
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 71205730
cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone
CID 73437758
6-fluoro-1-methyl-3-piperidin-1-ylindazole
CID 19020636
7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163571056
2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide
CID 162504785
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 4642944
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790
1-[(9R,10S)-5-fluoro-1-azatricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-9-yl]ethanone
CID 102529250

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone?
The IUPAC name of cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone (CID 164524659) is cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone.
What is the SMILES notation for cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone?
The canonical SMILES for cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone is Cn1ncc2c1c1ccc(F)cc1n2C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone?
The InChIKey is AWKMILNMSUJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-20-16-13-8-7-12(18)9-14(13)21(15(16)10-19-20)17(22)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3.
What are the key properties of cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone?
cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone is sourced from PubChem (CID 164524659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).