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

C21H20F3N3O — CID 157188128

IUPAC(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]nc12
InChIInChI=1S/C21H20F3N3O/c1-13-5-4-7-16-18(13)25-26-19(16)20(28)27-11-9-14(10-12-27)15-6-2-3-8-17(15)21(22,23)24/h2-8,14H,9-12H2,1H3,(H,25,26)
InChIKeyXSEOVEGQDAECGU-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.91
Rot. Bonds2

About (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 157188128) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID157188128
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]nc12
InChIInChI=1S/C21H20F3N3O/c1-13-5-4-7-16-18(13)25-26-19(16)20(28)27-11-9-14(10-12-27)15-6-2-3-8-17(15)21(22,23)24/h2-8,14H,9-12H2,1H3,(H,25,26)
InChIKeyXSEOVEGQDAECGU-UHFFFAOYSA-N
XLogP4.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 157188128) is (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1cccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]nc12.
What is the InChIKey of (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is XSEOVEGQDAECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-13-5-4-7-16-18(13)25-26-19(16)20(28)27-11-9-14(10-12-27)15-6-2-3-8-17(15)21(22,23)24/h2-8,14H,9-12H2,1H3,(H,25,26).
What are the key properties of (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 387.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 157188128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).