6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate

C34H26Br2F6N6O7 — CID 159321228

IUPAC6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.O=C(O)c1cn2cc(-c3coc(Br)c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C21H20BrF3N4O4.C13H6BrF3N2O3/c1-20(2,3)33-19(31)26-13-7-29(8-13)18(30)15-9-28-6-11(12-5-16(22)32-10-12)4-14(17(28)27-15)21(23,24)25;14-10-2-7(5-22-10)6-1-8(13(15,16)17)11-18-9(12(20)21)4-19(11)3-6/h4-6,9-10,13H,7-8H2,1-3H3,(H,26,31);1-5H,(H,20,21)
InChIKeyLDUFGDGEHBVXMH-UHFFFAOYSA-N
MW904.41 g/mol
LogP8.80
Rot. Bonds5

About 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate

6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate (PubChem CID 159321228) has the molecular formula C34H26Br2F6N6O7 and a molecular weight of 904.41 g/mol. Its IUPAC name is 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Name6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate
PubChem CID159321228
Molecular FormulaC34H26Br2F6N6O7
Molecular Weight904.41 g/mol
Exact Mass902.01
IUPAC Name6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.O=C(O)c1cn2cc(-c3coc(Br)c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C21H20BrF3N4O4.C13H6BrF3N2O3/c1-20(2,3)33-19(31)26-13-7-29(8-13)18(30)15-9-28-6-11(12-5-16(22)32-10-12)4-14(17(28)27-15)21(23,24)25;14-10-2-7(5-22-10)6-1-8(13(15,16)17)11-18-9(12(20)21)4-19(11)3-6/h4-6,9-10,13H,7-8H2,1-3H3,(H,26,31);1-5H,(H,20,21)
InChIKeyLDUFGDGEHBVXMH-UHFFFAOYSA-N
XLogP8.80
TPSA156.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.41
LogP ≤ 58.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate with MolForge

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Related Compounds

N-{1-[6-(5-bromo-furan-3-yl)-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carbonyl]-azetidin-3-yl}-methanesulfonamide
CID 46864544
N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide
CID 46864545
(3-Fluoro-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-(6-furan-3-yl-3-hydroxymethyl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-methanone
CID 46864712
(3-fluoro-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-[6-furan-3-yl-3-(1-hydroxy-ethyl)-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl]-methanone
CID 46864713
Methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
CID 46865004
2-[[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid
CID 46865006
2-[[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
CID 46865007
2-[[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 46865117
Methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 46865120
3-[[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
CID 46865224
3-(1-{[3-Bromo-6-(3-furanyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-1,3-oxazolidin-2-one
CID 46870268
3-(1-{[6-(3-Furanyl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-1,3-oxazolidin-2-one
CID 46870351

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate?
The IUPAC name of 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate (CID 159321228) is 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate.
What is the SMILES notation for 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate?
The canonical SMILES for 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.O=C(O)c1cn2cc(-c3coc(Br)c3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate?
The InChIKey is LDUFGDGEHBVXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrF3N4O4.C13H6BrF3N2O3/c1-20(2,3)33-19(31)26-13-7-29(8-13)18(30)15-9-28-6-11(12-5-16(22)32-10-12)4-14(17(28)27-15)21(23,24)25;14-10-2-7(5-22-10)6-1-8(13(15,16)17)11-18-9(12(20)21)4-19(11)3-6/h4-6,9-10,13H,7-8H2,1-3H3,(H,26,31);1-5H,(H,20,21).
What are the key properties of 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate?
6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate has a molecular weight of 904.41 g/mol, XLogP of 8.80, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 159321228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).