5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole

C14H16BrF2N3O — CID 141372536

IUPAC5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole
SMILESFC(F)Oc1c(Br)ccc2nn(CC3CCNCC3)cc12
InChIInChI=1S/C14H16BrF2N3O/c15-11-1-2-12-10(13(11)21-14(16)17)8-20(19-12)7-9-3-5-18-6-4-9/h1-2,8-9,14,18H,3-7H2
InChIKeyGXWMKIQOJPRWSB-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.40
Rot. Bonds4

About 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole

5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole (PubChem CID 141372536) has the molecular formula C14H16BrF2N3O and a molecular weight of 360.20 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole.

Molecular Properties

Compound Name5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole
PubChem CID141372536
Molecular FormulaC14H16BrF2N3O
Molecular Weight360.20 g/mol
Exact Mass359.04
IUPAC Name5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole
SMILESFC(F)Oc1c(Br)ccc2nn(CC3CCNCC3)cc12
InChIInChI=1S/C14H16BrF2N3O/c15-11-1-2-12-10(13(11)21-14(16)17)8-20(19-12)7-9-3-5-18-6-4-9/h1-2,8-9,14,18H,3-7H2
InChIKeyGXWMKIQOJPRWSB-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole?
The IUPAC name of 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole (CID 141372536) is 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole.
What is the SMILES notation for 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole?
The canonical SMILES for 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole is FC(F)Oc1c(Br)ccc2nn(CC3CCNCC3)cc12.
What is the InChIKey of 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole?
The InChIKey is GXWMKIQOJPRWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O/c15-11-1-2-12-10(13(11)21-14(16)17)8-20(19-12)7-9-3-5-18-6-4-9/h1-2,8-9,14,18H,3-7H2.
What are the key properties of 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole?
5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole has a molecular weight of 360.20 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethoxy)-2-(piperidin-4-ylmethyl)indazole is sourced from PubChem (CID 141372536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).