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

C22H24F3N3O — CID 25159783

IUPAC2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
SMILESCn1cc2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)c2n1
InChIInChI=1S/C22H24F3N3O/c1-28-13-16-11-19(22(23,24)25)12-17(20(16)27-28)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
InChIKeyHNERHMGLQDAUAX-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.43
Rot. Bonds5

About 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole

2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole (PubChem CID 25159783) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
PubChem CID25159783
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
SMILESCn1cc2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)c2n1
InChIInChI=1S/C22H24F3N3O/c1-28-13-16-11-19(22(23,24)25)12-17(20(16)27-28)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
InChIKeyHNERHMGLQDAUAX-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 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The IUPAC name of 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole (CID 25159783) is 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole.
What is the SMILES notation for 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The canonical SMILES for 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole is Cn1cc2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)c2n1.
What is the InChIKey of 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The InChIKey is HNERHMGLQDAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-28-13-16-11-19(22(23,24)25)12-17(20(16)27-28)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 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
2-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 2-methyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole is sourced from PubChem (CID 25159783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).