1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide

C50H40F18N8O7 — CID 159812006

IUPAC1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)n4ccnc34)=NO2)c1.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)n4ccnc34)=NO2)c1.NCC(=O)CCC(F)(F)F
InChIInChI=1S/C25H19F9N4O3.C20H13F6N3O3.C5H8F3NO/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)17-2-3-19(38-7-6-35-20(17)38)21(40)36-12-16(39)4-5-23(26,27)28;1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)13-2-3-15(17(30)31)29-5-4-27-16(13)29;6-5(7,8)2-1-4(10)3-9/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40);2-8H,9H2,1H3,(H,30,31);1-3,9H2
InChIKeyNLDNUKFVAHWMJP-UHFFFAOYSA-N
MW1206.88 g/mol
LogP11.68
Rot. Bonds13

About 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide

1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 159812006) has the molecular formula C50H40F18N8O7 and a molecular weight of 1206.88 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID159812006
Molecular FormulaC50H40F18N8O7
Molecular Weight1206.88 g/mol
Exact Mass1206.27
IUPAC Name1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)n4ccnc34)=NO2)c1.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)n4ccnc34)=NO2)c1.NCC(=O)CCC(F)(F)F
InChIInChI=1S/C25H19F9N4O3.C20H13F6N3O3.C5H8F3NO/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)17-2-3-19(38-7-6-35-20(17)38)21(40)36-12-16(39)4-5-23(26,27)28;1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)13-2-3-15(17(30)31)29-5-4-27-16(13)29;6-5(7,8)2-1-4(10)3-9/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40);2-8H,9H2,1H3,(H,30,31);1-3,9H2
InChIKeyNLDNUKFVAHWMJP-UHFFFAOYSA-N
XLogP11.68
TPSA204.34 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001206.88
LogP ≤ 511.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 159812006) is 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide is Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)n4ccnc34)=NO2)c1.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)n4ccnc34)=NO2)c1.NCC(=O)CCC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is NLDNUKFVAHWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F9N4O3.C20H13F6N3O3.C5H8F3NO/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)17-2-3-19(38-7-6-35-20(17)38)21(40)36-12-16(39)4-5-23(26,27)28;1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)13-2-3-15(17(30)31)29-5-4-27-16(13)29;6-5(7,8)2-1-4(10)3-9/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40);2-8H,9H2,1H3,(H,30,31);1-3,9H2.
What are the key properties of 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 1206.88 g/mol, XLogP of 11.68, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5,5-trifluoropentan-2-one;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 159812006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).