methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate

C15H11FN4O5 — CID 118197808

IUPACmethyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate
SMILESCOC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)c2ccnn2c1
InChIInChI=1S/C15H11FN4O5/c1-24-15(21)18-9-6-14(12-4-5-17-19(12)8-9)25-13-3-2-10(20(22)23)7-11(13)16/h2-8H,1H3,(H,18,21)
InChIKeyOZXRLNADZJXGMV-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.35
Rot. Bonds4

About methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate

methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate (PubChem CID 118197808) has the molecular formula C15H11FN4O5 and a molecular weight of 346.27 g/mol. Its IUPAC name is methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate
PubChem CID118197808
Molecular FormulaC15H11FN4O5
Molecular Weight346.27 g/mol
Exact Mass346.07
IUPAC Namemethyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate
SMILESCOC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)c2ccnn2c1
InChIInChI=1S/C15H11FN4O5/c1-24-15(21)18-9-6-14(12-4-5-17-19(12)8-9)25-13-3-2-10(20(22)23)7-11(13)16/h2-8H,1H3,(H,18,21)
InChIKeyOZXRLNADZJXGMV-UHFFFAOYSA-N
XLogP3.35
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.35
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'}

Analyze methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
5-[2-(2-fluoro-4-nitrophenoxy)-5-phenylphenyl]-1-methylpyrazole
CID 58042274
tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 59853072
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate
CID 118203835
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 21081653
4-(2-fluoro-4-nitrophenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 21081646
(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 59822966

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate?
The IUPAC name of methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate (CID 118197808) is methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate.
What is the SMILES notation for methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate?
The canonical SMILES for methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate is COC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)c2ccnn2c1.
What is the InChIKey of methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate?
The InChIKey is OZXRLNADZJXGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O5/c1-24-15(21)18-9-6-14(12-4-5-17-19(12)8-9)25-13-3-2-10(20(22)23)7-11(13)16/h2-8H,1H3,(H,18,21).
What are the key properties of methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate?
methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate has a molecular weight of 346.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]carbamate is sourced from PubChem (CID 118197808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).