2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide

C21H20FN5O2 — CID 165385291

IUPAC2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
SMILESCCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)cn1-c1cccc(F)c1
InChIInChI=1S/C21H20FN5O2/c1-3-29-21-24-18(13-27(21)17-9-5-8-16(22)10-17)20(28)26(2)12-15-7-4-6-14-11-23-25-19(14)15/h4-11,13H,3,12H2,1-2H3,(H,23,25)
InChIKeyGKNQWIJTTUMFTN-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.56
Rot. Bonds6

About 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide

2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide (PubChem CID 165385291) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
PubChem CID165385291
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
SMILESCCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)cn1-c1cccc(F)c1
InChIInChI=1S/C21H20FN5O2/c1-3-29-21-24-18(13-27(21)17-9-5-8-16(22)10-17)20(28)26(2)12-15-7-4-6-14-11-23-25-19(14)15/h4-11,13H,3,12H2,1-2H3,(H,23,25)
InChIKeyGKNQWIJTTUMFTN-UHFFFAOYSA-N
XLogP3.56
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
CID 165385267
5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
CID 165385275
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 165385158
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
CID 165385295
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
CID 165385443
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
CID 165385357
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
CID 177350304

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide (CID 165385291) is 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide is CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)cn1-c1cccc(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide?
The InChIKey is GKNQWIJTTUMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-3-29-21-24-18(13-27(21)17-9-5-8-16(22)10-17)20(28)26(2)12-15-7-4-6-14-11-23-25-19(14)15/h4-11,13H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide?
2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 165385291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).