1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide

C27H25F3N4O — CID 11583785

IUPAC1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)CC1
InChIInChI=1S/C27H25F3N4O/c28-27(29,30)23-8-4-7-22-24(23)32-34(17-18-5-2-1-3-6-18)25(22)19-9-11-21(12-10-19)33-15-13-20(14-16-33)26(31)35/h1-12,20H,13-17H2,(H2,31,35)
InChIKeyICAKSMAJZIRKBQ-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.47
Rot. Bonds5

About 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide

1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide (PubChem CID 11583785) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide
PubChem CID11583785
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)CC1
InChIInChI=1S/C27H25F3N4O/c28-27(29,30)23-8-4-7-22-24(23)32-34(17-18-5-2-1-3-6-18)25(22)19-9-11-21(12-10-19)33-15-13-20(14-16-33)26(31)35/h1-12,20H,13-17H2,(H2,31,35)
InChIKeyICAKSMAJZIRKBQ-UHFFFAOYSA-N
XLogP5.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide (CID 11583785) is 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is ICAKSMAJZIRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c28-27(29,30)23-8-4-7-22-24(23)32-34(17-18-5-2-1-3-6-18)25(22)19-9-11-21(12-10-19)33-15-13-20(14-16-33)26(31)35/h1-12,20H,13-17H2,(H2,31,35).
What are the key properties of 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide?
1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11583785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).