1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid

C18H20BrF2N3O2 — CID 166343884

IUPAC1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCN(Cc3cn4cc(Br)ccc4n3)C2)CC(F)(F)C1
InChIInChI=1S/C18H20BrF2N3O2/c19-13-3-4-15-22-14(9-24(15)7-13)8-23-5-1-2-12(6-23)17(16(25)26)10-18(20,21)11-17/h3-4,7,9,12H,1-2,5-6,8,10-11H2,(H,25,26)
InChIKeyOMIITGVGAVNAAW-UHFFFAOYSA-N
MW428.28 g/mol
LogP3.81
Rot. Bonds4

About 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid

1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid (PubChem CID 166343884) has the molecular formula C18H20BrF2N3O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid
PubChem CID166343884
Molecular FormulaC18H20BrF2N3O2
Molecular Weight428.28 g/mol
Exact Mass427.07
IUPAC Name1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCN(Cc3cn4cc(Br)ccc4n3)C2)CC(F)(F)C1
InChIInChI=1S/C18H20BrF2N3O2/c19-13-3-4-15-22-14(9-24(15)7-13)8-23-5-1-2-12(6-23)17(16(25)26)10-18(20,21)11-17/h3-4,7,9,12H,1-2,5-6,8,10-11H2,(H,25,26)
InChIKeyOMIITGVGAVNAAW-UHFFFAOYSA-N
XLogP3.81
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid?
The IUPAC name of 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid (CID 166343884) is 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid is O=C(O)C1(C2CCCN(Cc3cn4cc(Br)ccc4n3)C2)CC(F)(F)C1.
What is the InChIKey of 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid?
The InChIKey is OMIITGVGAVNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF2N3O2/c19-13-3-4-15-22-14(9-24(15)7-13)8-23-5-1-2-12(6-23)17(16(25)26)10-18(20,21)11-17/h3-4,7,9,12H,1-2,5-6,8,10-11H2,(H,25,26).
What are the key properties of 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid?
1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid has a molecular weight of 428.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-3,3-difluorocyclobutane-1-carboxylic acid is sourced from PubChem (CID 166343884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).