2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine

C27H30F2N4O — CID 45139071

IUPAC2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine
SMILESCOc1c2c(cc3c4cc(F)ccc4n(CCN(C)C)c13)c1cc(F)ccc1n2CCN(C)C
InChIInChI=1S/C27H30F2N4O/c1-30(2)10-12-32-23-8-6-17(28)14-19(23)21-16-22-20-15-18(29)7-9-24(20)33(13-11-31(3)4)26(22)27(34-5)25(21)32/h6-9,14-16H,10-13H2,1-5H3
InChIKeyISJKCPPKCQMJPJ-UHFFFAOYSA-N
MW464.56 g/mol
LogP5.31
Rot. Bonds7

About 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine

2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine (PubChem CID 45139071) has the molecular formula C27H30F2N4O and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine
PubChem CID45139071
Molecular FormulaC27H30F2N4O
Molecular Weight464.56 g/mol
Exact Mass464.24
IUPAC Name2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine
SMILESCOc1c2c(cc3c4cc(F)ccc4n(CCN(C)C)c13)c1cc(F)ccc1n2CCN(C)C
InChIInChI=1S/C27H30F2N4O/c1-30(2)10-12-32-23-8-6-17(28)14-19(23)21-16-22-20-15-18(29)7-9-24(20)33(13-11-31(3)4)26(22)27(34-5)25(21)32/h6-9,14-16H,10-13H2,1-5H3
InChIKeyISJKCPPKCQMJPJ-UHFFFAOYSA-N
XLogP5.31
TPSA25.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine (CID 45139071) is 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine is COc1c2c(cc3c4cc(F)ccc4n(CCN(C)C)c13)c1cc(F)ccc1n2CCN(C)C.
What is the InChIKey of 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine?
The InChIKey is ISJKCPPKCQMJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O/c1-30(2)10-12-32-23-8-6-17(28)14-19(23)21-16-22-20-15-18(29)7-9-24(20)33(13-11-31(3)4)26(22)27(34-5)25(21)32/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine?
2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine has a molecular weight of 464.56 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 45139071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).