2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide

C19H19F3N4O — CID 135371892

IUPAC2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1
InChIInChI=1S/C19H19F3N4O/c1-3-12(4-2)17(27)24-14-7-5-6-13(10-14)15-11-23-18-25-16(19(20,21)22)8-9-26(15)18/h5-12H,3-4H2,1-2H3,(H,24,27)
InChIKeyHWFANGMTIKREGP-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.79
Rot. Bonds5

About 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide

2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide (PubChem CID 135371892) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide
PubChem CID135371892
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1
InChIInChI=1S/C19H19F3N4O/c1-3-12(4-2)17(27)24-14-7-5-6-13(10-14)15-11-23-18-25-16(19(20,21)22)8-9-26(15)18/h5-12H,3-4H2,1-2H3,(H,24,27)
InChIKeyHWFANGMTIKREGP-UHFFFAOYSA-N
XLogP4.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nilotinib
CID 644241
Kira6
CID 73425700
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
C-1368
CID 9549303
Gsk-3494245
CID 126571915
Pumaprazole
CID 3052764
Imidazopyridine 18d
CID 5329354
2,4-Disubstituted Pyrimidine 2k
CID 5329424
2,4-Disubstituted Pyrimidine 3a
CID 5329426
2,4-Disubstituted Pyrimidine 3d
CID 5329429
N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-3-[5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 44143502

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide (CID 135371892) is 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1.
What is the InChIKey of 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide?
The InChIKey is HWFANGMTIKREGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-3-12(4-2)17(27)24-14-7-5-6-13(10-14)15-11-23-18-25-16(19(20,21)22)8-9-26(15)18/h5-12H,3-4H2,1-2H3,(H,24,27).
What are the key properties of 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide?
2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide has a molecular weight of 376.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide is sourced from PubChem (CID 135371892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).