N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine

C18H18FN5O2 — CID 15980219

IUPACN-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESO=[N+]([O-])c1ccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(F)c1
InChIInChI=1S/C18H18FN5O2/c19-16-9-15(24(25)26)4-6-18(16)23-7-1-2-14(11-23)21-13-3-5-17-12(8-13)10-20-22-17/h3-6,8-10,14,21H,1-2,7,11H2,(H,20,22)
InChIKeyPMIWDOREMKSHLN-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine

N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 15980219) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine
PubChem CID15980219
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESO=[N+]([O-])c1ccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(F)c1
InChIInChI=1S/C18H18FN5O2/c19-16-9-15(24(25)26)4-6-18(16)23-7-1-2-14(11-23)21-13-3-5-17-12(8-13)10-20-22-17/h3-6,8-10,14,21H,1-2,7,11H2,(H,20,22)
InChIKeyPMIWDOREMKSHLN-UHFFFAOYSA-N
XLogP3.69
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine (CID 15980219) is N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine is O=[N+]([O-])c1ccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(F)c1.
What is the InChIKey of N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is PMIWDOREMKSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-16-9-15(24(25)26)4-6-18(16)23-7-1-2-14(11-23)21-13-3-5-17-12(8-13)10-20-22-17/h3-6,8-10,14,21H,1-2,7,11H2,(H,20,22).
What are the key properties of N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine?
N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 355.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 15980219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).