(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C21H20F3N3O2 — CID 118872313

IUPAC(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1
InChIInChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,26)
InChIKeyLFIZKTLQYJDDBF-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.61
Rot. Bonds3

About (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 118872313) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID118872313
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1
InChIInChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,26)
InChIKeyLFIZKTLQYJDDBF-UHFFFAOYSA-N
XLogP4.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 118872313) is (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is COc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.
What is the InChIKey of (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is LFIZKTLQYJDDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,26).
What are the key properties of (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 403.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118872313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).