N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine

C22H21BrFN3O — CID 71254229

IUPACN-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCC(F)Cn2c3ccc(C)cc3c3cc(Br)ccc32)n1
InChIInChI=1S/C22H21BrFN3O/c1-14-6-8-19-17(10-14)18-11-15(23)7-9-20(18)27(19)13-16(24)12-25-21-4-3-5-22(26-21)28-2/h3-11,16H,12-13H2,1-2H3,(H,25,26)
InChIKeyAZHYAYIQUCGFLK-UHFFFAOYSA-N
MW442.33 g/mol
LogP5.72
Rot. Bonds6

About N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine

N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine (PubChem CID 71254229) has the molecular formula C22H21BrFN3O and a molecular weight of 442.33 g/mol. Its IUPAC name is N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
PubChem CID71254229
Molecular FormulaC22H21BrFN3O
Molecular Weight442.33 g/mol
Exact Mass441.09
IUPAC NameN-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCC(F)Cn2c3ccc(C)cc3c3cc(Br)ccc32)n1
InChIInChI=1S/C22H21BrFN3O/c1-14-6-8-19-17(10-14)18-11-15(23)7-9-20(18)27(19)13-16(24)12-25-21-4-3-5-22(26-21)28-2/h3-11,16H,12-13H2,1-2H3,(H,25,26)
InChIKeyAZHYAYIQUCGFLK-UHFFFAOYSA-N
XLogP5.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.33
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
The IUPAC name of N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine (CID 71254229) is N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine.
What is the SMILES notation for N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
The canonical SMILES for N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine is COc1cccc(NCC(F)Cn2c3ccc(C)cc3c3cc(Br)ccc32)n1.
What is the InChIKey of N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
The InChIKey is AZHYAYIQUCGFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrFN3O/c1-14-6-8-19-17(10-14)18-11-15(23)7-9-20(18)27(19)13-16(24)12-25-21-4-3-5-22(26-21)28-2/h3-11,16H,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine has a molecular weight of 442.33 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine is sourced from PubChem (CID 71254229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).