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

C31H27F4N5O6 — CID 73058276

IUPAC2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid
SMILESCc1cc2[nH]ncc2cc1Cn1c(C(=O)OCCN(C)C)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C29H26FN5O4.C2HF3O2/c1-16-11-22-17(14-32-33-22)12-18(16)15-35-23-13-21(30)19-6-9-38-27(19)25(23)24(20-5-4-7-31-28(20)36)26(35)29(37)39-10-8-34(2)3;3-2(4,5)1(6)7/h4-7,9,11-14H,8,10,15H2,1-3H3,(H,31,36)(H,32,33);(H,6,7)
InChIKeyLDYSVUGANPIXKT-UHFFFAOYSA-N
MW641.58 g/mol
LogP5.47
Rot. Bonds7

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

2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 73058276) has the molecular formula C31H27F4N5O6 and a molecular weight of 641.58 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-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 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID73058276
Molecular FormulaC31H27F4N5O6
Molecular Weight641.58 g/mol
Exact Mass641.19
IUPAC Name2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid
SMILESCc1cc2[nH]ncc2cc1Cn1c(C(=O)OCCN(C)C)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C29H26FN5O4.C2HF3O2/c1-16-11-22-17(14-32-33-22)12-18(16)15-35-23-13-21(30)19-6-9-38-27(19)25(23)24(20-5-4-7-31-28(20)36)26(35)29(37)39-10-8-34(2)3;3-2(4,5)1(6)7/h4-7,9,11-14H,8,10,15H2,1-3H3,(H,31,36)(H,32,33);(H,6,7)
InChIKeyLDYSVUGANPIXKT-UHFFFAOYSA-N
XLogP5.47
TPSA146.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.58
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-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 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-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 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid (CID 73058276) is 2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-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 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-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 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid is Cc1cc2[nH]ncc2cc1Cn1c(C(=O)OCCN(C)C)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is LDYSVUGANPIXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O4.C2HF3O2/c1-16-11-22-17(14-32-33-22)12-18(16)15-35-23-13-21(30)19-6-9-38-27(19)25(23)24(20-5-4-7-31-28(20)36)26(35)29(37)39-10-8-34(2)3;3-2(4,5)1(6)7/h4-7,9,11-14H,8,10,15H2,1-3H3,(H,31,36)(H,32,33);(H,6,7).
What are the key properties of 2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid?
2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 641.58 g/mol, XLogP of 5.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 73058276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).