4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide

C20H19FN6O2 — CID 165385267

IUPAC4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ncc1-n1cnc(F)c1
InChIInChI=1S/C20H19FN6O2/c1-3-29-17-7-15(22-9-16(17)27-11-18(21)23-12-27)20(28)26(2)10-14-6-4-5-13-8-24-25-19(13)14/h4-9,11-12H,3,10H2,1-2H3,(H,24,25)
InChIKeyNMFQJGUKZJSLJY-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.95
Rot. Bonds6

About 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide

4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 165385267) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID165385267
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ncc1-n1cnc(F)c1
InChIInChI=1S/C20H19FN6O2/c1-3-29-17-7-15(22-9-16(17)27-11-18(21)23-12-27)20(28)26(2)10-14-6-4-5-13-8-24-25-19(13)14/h4-9,11-12H,3,10H2,1-2H3,(H,24,25)
InChIKeyNMFQJGUKZJSLJY-UHFFFAOYSA-N
XLogP2.95
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
CID 165385291
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 165385158
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-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
CID 165385443
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide
CID 167680576
6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
CID 165385357
N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
CID 165385295
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide (CID 165385267) is 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ncc1-n1cnc(F)c1.
What is the InChIKey of 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is NMFQJGUKZJSLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-3-29-17-7-15(22-9-16(17)27-11-18(21)23-12-27)20(28)26(2)10-14-6-4-5-13-8-24-25-19(13)14/h4-9,11-12H,3,10H2,1-2H3,(H,24,25).
What are the key properties of 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 165385267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).