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

C26H25FN4O3 — CID 165385069

IUPAC7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C26H25FN4O3/c1-4-34-23-13-17(8-10-20(23)16-6-5-7-19(27)12-16)26(33)31(3)15-18-9-11-21(25(32)28-2)22-14-29-30-24(18)22/h5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyYFBVNODCPHGQLZ-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.40
Rot. Bonds7

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

7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide (PubChem CID 165385069) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
PubChem CID165385069
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C26H25FN4O3/c1-4-34-23-13-17(8-10-20(23)16-6-5-7-19(27)12-16)26(33)31(3)15-18-9-11-21(25(32)28-2)22-14-29-30-24(18)22/h5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyYFBVNODCPHGQLZ-UHFFFAOYSA-N
XLogP4.40
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
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-methyl-1H-indazole-4-carboxamide?
The IUPAC name of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide (CID 165385069) is 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide.
What is the SMILES notation for 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
The canonical SMILES for 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide is CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
The InChIKey is YFBVNODCPHGQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-4-34-23-13-17(8-10-20(23)16-6-5-7-19(27)12-16)26(33)31(3)15-18-9-11-21(25(32)28-2)22-14-29-30-24(18)22/h5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30).
What are the key properties of 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 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-methyl-1H-indazole-4-carboxamide is sourced from PubChem (CID 165385069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).