3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine

C18H14BrF2N5 — CID 135233251

IUPAC3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(Br)n3c2)n1
InChIInChI=1S/C18H14BrF2N5/c1-11-3-2-4-13(24-11)17-18(25(10-23-17)9-15(20)21)12-5-6-16-22-7-14(19)26(16)8-12/h2-8,10,15H,9H2,1H3
InChIKeyWDDHVUYOGAGWDP-UHFFFAOYSA-N
MW418.25 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine

3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 135233251) has the molecular formula C18H14BrF2N5 and a molecular weight of 418.25 g/mol. Its IUPAC name is 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID135233251
Molecular FormulaC18H14BrF2N5
Molecular Weight418.25 g/mol
Exact Mass417.04
IUPAC Name3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(Br)n3c2)n1
InChIInChI=1S/C18H14BrF2N5/c1-11-3-2-4-13(24-11)17-18(25(10-23-17)9-15(20)21)12-5-6-16-22-7-14(19)26(16)8-12/h2-8,10,15H,9H2,1H3
InChIKeyWDDHVUYOGAGWDP-UHFFFAOYSA-N
XLogP4.60
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine (CID 135233251) is 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine is Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(Br)n3c2)n1.
What is the InChIKey of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is WDDHVUYOGAGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N5/c1-11-3-2-4-13(24-11)17-18(25(10-23-17)9-15(20)21)12-5-6-16-22-7-14(19)26(16)8-12/h2-8,10,15H,9H2,1H3.
What are the key properties of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 418.25 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135233251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).