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

C24H24F3N3O2 — CID 158260435

IUPAC[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)c(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)nn2C1COC1
InChIInChI=1S/C24H24F3N3O2/c1-15-6-7-21-19(12-15)22(28-30(21)17-13-32-14-17)23(31)29-10-8-16(9-11-29)18-4-2-3-5-20(18)24(25,26)27/h2-7,12,16-17H,8-11,13-14H2,1H3
InChIKeyKGWGPYVBJUIXFC-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.95
Rot. Bonds3

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

[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158260435) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID158260435
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)c(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)nn2C1COC1
InChIInChI=1S/C24H24F3N3O2/c1-15-6-7-21-19(12-15)22(28-30(21)17-13-32-14-17)23(31)29-10-8-16(9-11-29)18-4-2-3-5-20(18)24(25,26)27/h2-7,12,16-17H,8-11,13-14H2,1H3
InChIKeyKGWGPYVBJUIXFC-UHFFFAOYSA-N
XLogP4.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 158260435) is [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1ccc2c(c1)c(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)nn2C1COC1.
What is the InChIKey of [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is KGWGPYVBJUIXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-15-6-7-21-19(12-15)22(28-30(21)17-13-32-14-17)23(31)29-10-8-16(9-11-29)18-4-2-3-5-20(18)24(25,26)27/h2-7,12,16-17H,8-11,13-14H2,1H3.
What are the key properties of [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 443.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 158260435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).