4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

C26H21ClF6N4O3 — CID 158205822

IUPAC4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c3cncn23)=NO1
InChIInChI=1S/C26H21ClF6N4O3/c1-24(15-8-16(26(31,32)33)10-17(27)9-15)11-18(36-40-24)2-3-19-4-5-20(21-12-34-14-37(19)21)22(38)6-7-23(39)35-13-25(28,29)30/h2-5,8-10,12,14H,6-7,11,13H2,1H3,(H,35,39)/b3-2+
InChIKeyYGDJQEFPXBYUEY-NSCUHMNNSA-N
MW586.92 g/mol
LogP6.35
Rot. Bonds8

About 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 158205822) has the molecular formula C26H21ClF6N4O3 and a molecular weight of 586.92 g/mol. Its IUPAC name is 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID158205822
Molecular FormulaC26H21ClF6N4O3
Molecular Weight586.92 g/mol
Exact Mass586.12
IUPAC Name4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c3cncn23)=NO1
InChIInChI=1S/C26H21ClF6N4O3/c1-24(15-8-16(26(31,32)33)10-17(27)9-15)11-18(36-40-24)2-3-19-4-5-20(21-12-34-14-37(19)21)22(38)6-7-23(39)35-13-25(28,29)30/h2-5,8-10,12,14H,6-7,11,13H2,1H3,(H,35,39)/b3-2+
InChIKeyYGDJQEFPXBYUEY-NSCUHMNNSA-N
XLogP6.35
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.92
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-4,4,4-trifluorobutanamide
CID 171627825
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-2,2-difluoropropanamide
CID 171627836
(R)-N-((3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-3-methyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 171627851
N-((S)-1-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-3-methyl-2-oxopyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 171627857
(S)-N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-3-methyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 171627870
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 171627886
(R)-N-((3S,4S)-4-(3-chloro-4-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-3-methyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 171627890
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-2-methyl-2-(2,2,2-trifluoroacetamido)propanamide
CID 171627989
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-1-(2,2,2-trifluoroacetamido)cyclohexane-1-carboxamide
CID 171628005
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-4,4,4-trifluoro-2,2-dimethylbutanamide
CID 171628027
(S)-N-((3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-4,4-difluoro-5-oxopyrrolidine-2-carboxamide
CID 171628051
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-1-(2,2,2-trifluoroacetamido)cyclopentane-1-carboxamide
CID 171628074

Frequently Asked Questions

What is the IUPAC name of 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 158205822) is 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c3cncn23)=NO1.
What is the InChIKey of 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YGDJQEFPXBYUEY-NSCUHMNNSA-N. The full InChI is InChI=1S/C26H21ClF6N4O3/c1-24(15-8-16(26(31,32)33)10-17(27)9-15)11-18(36-40-24)2-3-19-4-5-20(21-12-34-14-37(19)21)22(38)6-7-23(39)35-13-25(28,29)30/h2-5,8-10,12,14H,6-7,11,13H2,1H3,(H,35,39)/b3-2+.
What are the key properties of 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 586.92 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[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]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 158205822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).