2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide

C21H16FN5O4 — CID 67697925

IUPAC2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide
SMILESO=C(COc1nn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc12)Nc1ccncc1
InChIInChI=1S/C21H16FN5O4/c22-15-3-1-14(2-4-15)12-26-19-6-5-17(27(29)30)11-18(19)21(25-26)31-13-20(28)24-16-7-9-23-10-8-16/h1-11H,12-13H2,(H,23,24,28)
InChIKeyLEFCBXVPROPMTQ-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.54
Rot. Bonds7

About 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide

2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide (PubChem CID 67697925) has the molecular formula C21H16FN5O4 and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide
PubChem CID67697925
Molecular FormulaC21H16FN5O4
Molecular Weight421.39 g/mol
Exact Mass421.12
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide
SMILESO=C(COc1nn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc12)Nc1ccncc1
InChIInChI=1S/C21H16FN5O4/c22-15-3-1-14(2-4-15)12-26-19-6-5-17(27(29)30)11-18(19)21(25-26)31-13-20(28)24-16-7-9-23-10-8-16/h1-11H,12-13H2,(H,23,24,28)
InChIKeyLEFCBXVPROPMTQ-UHFFFAOYSA-N
XLogP3.54
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxyacetate
CID 110188874
5-(1-benzyl-5-nitroindazol-3-yl)oxypentan-1-amine;hydrochloride
CID 162651124
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 2970404
[2-(4-fluoroanilino)-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990288
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
[2-(4-fluoroanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 7149076
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
3-[1-[(2-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 70686179
2-[3-tert-butylsulfanyl-2-(2-hydroxy-2-methylpropyl)-1-(pyridin-4-ylmethyl)indol-5-yl]oxy-N-(4-fluorophenyl)acetamide
CID 66937282
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[5-methoxy-1-[(3-nitrophenyl)methyl]indazol-3-yl] 2,4,6-trifluorobenzoate
CID 110169703

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide (CID 67697925) is 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide is O=C(COc1nn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc12)Nc1ccncc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide?
The InChIKey is LEFCBXVPROPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O4/c22-15-3-1-14(2-4-15)12-26-19-6-5-17(27(29)30)11-18(19)21(25-26)31-13-20(28)24-16-7-9-23-10-8-16/h1-11H,12-13H2,(H,23,24,28).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide?
2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide has a molecular weight of 421.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide is sourced from PubChem (CID 67697925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).