7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide

C27H27FN4O3 — CID 165385161

IUPAC7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)N(C)C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H27FN4O3/c1-5-35-24-14-18(9-11-21(24)17-7-6-8-20(28)13-17)26(33)32(4)16-19-10-12-22(27(34)31(2)3)23-15-29-30-25(19)23/h6-15H,5,16H2,1-4H3,(H,29,30)
InChIKeyOENANRXBVGSAKQ-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.74
Rot. Bonds7

About 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide

7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide (PubChem CID 165385161) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide
PubChem CID165385161
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)N(C)C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H27FN4O3/c1-5-35-24-14-18(9-11-21(24)17-7-6-8-20(28)13-17)26(33)32(4)16-19-10-12-22(27(34)31(2)3)23-15-29-30-25(19)23/h6-15H,5,16H2,1-4H3,(H,29,30)
InChIKeyOENANRXBVGSAKQ-UHFFFAOYSA-N
XLogP4.74
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide?
The IUPAC name of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide (CID 165385161) is 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide.
What is the SMILES notation for 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide?
The canonical SMILES for 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide is CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)N(C)C)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide?
The InChIKey is OENANRXBVGSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-5-35-24-14-18(9-11-21(24)17-7-6-8-20(28)13-17)26(33)32(4)16-19-10-12-22(27(34)31(2)3)23-15-29-30-25(19)23/h6-15H,5,16H2,1-4H3,(H,29,30).
What are the key properties of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide?
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide is sourced from PubChem (CID 165385161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).