2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid

C30H25F5N6O6 — CID 73058275

IUPAC2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid
SMILESCN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(N)n[nH]c2cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C28H24F2N6O4.C2HF3O2/c1-35(2)7-9-40-28(38)24-22(16-4-3-6-32-27(16)37)23-21(12-19(30)15-5-8-39-25(15)23)36(24)13-14-10-17-20(11-18(14)29)33-34-26(17)31;3-2(4,5)1(6)7/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,32,37)(H3,31,33,34);(H,6,7)
InChIKeyLBQYUBRVTLQKGF-UHFFFAOYSA-N
MW660.56 g/mol
LogP4.88
Rot. Bonds7

About 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid

2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 73058275) has the molecular formula C30H25F5N6O6 and a molecular weight of 660.56 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID73058275
Molecular FormulaC30H25F5N6O6
Molecular Weight660.56 g/mol
Exact Mass660.18
IUPAC Name2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid
SMILESCN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(N)n[nH]c2cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C28H24F2N6O4.C2HF3O2/c1-35(2)7-9-40-28(38)24-22(16-4-3-6-32-27(16)37)23-21(12-19(30)15-5-8-39-25(15)23)36(24)13-14-10-17-20(11-18(14)29)33-34-26(17)31;3-2(4,5)1(6)7/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,32,37)(H3,31,33,34);(H,6,7)
InChIKeyLBQYUBRVTLQKGF-UHFFFAOYSA-N
XLogP4.88
TPSA172.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.56
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid (CID 73058275) is 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid is CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(N)n[nH]c2cc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is LBQYUBRVTLQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O4.C2HF3O2/c1-35(2)7-9-40-28(38)24-22(16-4-3-6-32-27(16)37)23-21(12-19(30)15-5-8-39-25(15)23)36(24)13-14-10-17-20(11-18(14)29)33-34-26(17)31;3-2(4,5)1(6)7/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,32,37)(H3,31,33,34);(H,6,7).
What are the key properties of 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid?
2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 660.56 g/mol, XLogP of 4.88, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 73058275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).