N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine

C20H20F4N4O2 — CID 169207826

IUPACN-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine
SMILESC1CCNCC1.O=CNc1n[nH]c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc12
InChIInChI=1S/C15H9F4N3O2.C5H11N/c16-12-3-2-9(24-15(17,18)19)6-10(12)8-1-4-13-11(5-8)14(20-7-23)22-21-13;1-2-4-6-5-3-1/h1-7H,(H2,20,21,22,23);6H,1-5H2
InChIKeyBTOJRMRSHPEHDD-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.60
Rot. Bonds4

About N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine

N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine (PubChem CID 169207826) has the molecular formula C20H20F4N4O2 and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine.

Molecular Properties

Compound NameN-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine
PubChem CID169207826
Molecular FormulaC20H20F4N4O2
Molecular Weight424.40 g/mol
Exact Mass424.15
IUPAC NameN-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine
SMILESC1CCNCC1.O=CNc1n[nH]c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc12
InChIInChI=1S/C15H9F4N3O2.C5H11N/c16-12-3-2-9(24-15(17,18)19)6-10(12)8-1-4-13-11(5-8)14(20-7-23)22-21-13;1-2-4-6-5-3-1/h1-7H,(H2,20,21,22,23);6H,1-5H2
InChIKeyBTOJRMRSHPEHDD-UHFFFAOYSA-N
XLogP4.60
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine?
The IUPAC name of N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine (CID 169207826) is N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine.
What is the SMILES notation for N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine?
The canonical SMILES for N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine is C1CCNCC1.O=CNc1n[nH]c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc12.
What is the InChIKey of N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine?
The InChIKey is BTOJRMRSHPEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2.C5H11N/c16-12-3-2-9(24-15(17,18)19)6-10(12)8-1-4-13-11(5-8)14(20-7-23)22-21-13;1-2-4-6-5-3-1/h1-7H,(H2,20,21,22,23);6H,1-5H2.
What are the key properties of N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine?
N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine has a molecular weight of 424.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine is sourced from PubChem (CID 169207826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).