1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole

C22H24F3N3O — CID 25159782

IUPAC1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
SMILESCn1ncc2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)c21
InChIInChI=1S/C22H24F3N3O/c1-28-20-16(13-27-28)11-19(22(23,24)25)12-17(20)14-29-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3
InChIKeyNHVSQDXCXAWAPD-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.43
Rot. Bonds5

About 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole

1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole (PubChem CID 25159782) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
PubChem CID25159782
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
SMILESCn1ncc2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)c21
InChIInChI=1S/C22H24F3N3O/c1-28-20-16(13-27-28)11-19(22(23,24)25)12-17(20)14-29-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3
InChIKeyNHVSQDXCXAWAPD-UHFFFAOYSA-N
XLogP4.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The IUPAC name of 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole (CID 25159782) is 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole.
What is the SMILES notation for 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The canonical SMILES for 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole is Cn1ncc2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)c21.
What is the InChIKey of 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The InChIKey is NHVSQDXCXAWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-28-20-16(13-27-28)11-19(22(23,24)25)12-17(20)14-29-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3.
What are the key properties of 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole has a molecular weight of 403.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole is sourced from PubChem (CID 25159782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).