6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole

C21H20FN3O — CID 91381156

IUPAC6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole
SMILESCOc1ccc(C2CCc3[nH]ncc3C2)c2c3cc(F)ccc3n(C)c12
InChIInChI=1S/C21H20FN3O/c1-25-18-7-4-14(22)10-16(18)20-15(5-8-19(26-2)21(20)25)12-3-6-17-13(9-12)11-23-24-17/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,23,24)
InChIKeyIXLUNFIMYLGRJF-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.47
Rot. Bonds2

About 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole

6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole (PubChem CID 91381156) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole.

Molecular Properties

Compound Name6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole
PubChem CID91381156
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole
SMILESCOc1ccc(C2CCc3[nH]ncc3C2)c2c3cc(F)ccc3n(C)c12
InChIInChI=1S/C21H20FN3O/c1-25-18-7-4-14(22)10-16(18)20-15(5-8-19(26-2)21(20)25)12-3-6-17-13(9-12)11-23-24-17/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,23,24)
InChIKeyIXLUNFIMYLGRJF-UHFFFAOYSA-N
XLogP4.47
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole?
The IUPAC name of 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole (CID 91381156) is 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole.
What is the SMILES notation for 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole?
The canonical SMILES for 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole is COc1ccc(C2CCc3[nH]ncc3C2)c2c3cc(F)ccc3n(C)c12.
What is the InChIKey of 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole?
The InChIKey is IXLUNFIMYLGRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-25-18-7-4-14(22)10-16(18)20-15(5-8-19(26-2)21(20)25)12-3-6-17-13(9-12)11-23-24-17/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,23,24).
What are the key properties of 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole?
6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole has a molecular weight of 349.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methoxy-9-methyl-4-(4,5,6,7-tetrahydro-1H-indazol-5-yl)carbazole is sourced from PubChem (CID 91381156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).