5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine

C49H41Cl2F12N7O5 — CID 159891799

About 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine

5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine (PubChem CID 159891799) has the molecular formula C49H41Cl2F12N7O5 and a molecular weight of 1106.79 g/mol. Its IUPAC name is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine.

Molecular Properties

• Compound Name: 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine
• PubChem CID: 159891799
• Molecular Formula: C49H41Cl2F12N7O5
• Molecular Weight: 1106.79 g/mol
• Exact Mass: 1105.24
• IUPAC Name: 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine
• SMILES: CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCCC(F)(F)F)c3cncn23)=NO1.CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)O)c3cncn23)=NO1.NCCC(F)(F)F
• InChI: InChI=1S/C25H20ClF6N3O2.C21H15ClF3N3O3.C3H6F3N/c1-23(15-9-16(25(30,31)32)11-17(26)10-15)12-18(34-37-23)4-5-19-6-7-20(21-13-33-14-35(19)21)22(36)3-2-8-24(27,28)29;1-20(12-6-13(21(23,24)25)8-14(22)7-12)9-15(27-31-20)2-3-16-4-5-17(19(29)30)18-10-26-11-28(16)18;4-3(5,6)1-2-7/h4-7,9-11,13-14H,2-3,8,12H2,1H3;2-8,10-11H,9H2,1H3,(H,29,30);1-2,7H2/b5-4+;3-2+
• InChIKey: NUVPYYPGVGQRHB-SRUUJQCNSA-N
• XLogP: 13.93
• TPSA: 158.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1106.79
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?

The IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine (CID 159891799) is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine.

What is the SMILES notation for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?

The canonical SMILES for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine is CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCCC(F)(F)F)c3cncn23)=NO1.CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)O)c3cncn23)=NO1.NCCC(F)(F)F.

What is the InChIKey of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?

The InChIKey is NUVPYYPGVGQRHB-SRUUJQCNSA-N. The full InChI is InChI=1S/C25H20ClF6N3O2.C21H15ClF3N3O3.C3H6F3N/c1-23(15-9-16(25(30,31)32)11-17(26)10-15)12-18(34-37-23)4-5-19-6-7-20(21-13-33-14-35(19)21)22(36)3-2-8-24(27,28)29;1-20(12-6-13(21(23,24)25)8-14(22)7-12)9-15(27-31-20)2-3-16-4-5-17(19(29)30)18-10-26-11-28(16)18;4-3(5,6)1-2-7/h4-7,9-11,13-14H,2-3,8,12H2,1H3;2-8,10-11H,9H2,1H3,(H,29,30);1-2,7H2/b5-4+;3-2+;.

What are the key properties of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?

5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine has a molecular weight of 1106.79 g/mol, XLogP of 13.93, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 159891799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).