N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide

C22H19F3N6OS — CID 158300216

IUPACN-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(NC5CC5)s4)ccn23)c1
InChIInChI=1S/C22H19F3N6OS/c23-22(24,25)8-6-19(32)27-16-3-1-2-13(10-16)17-12-26-18-11-14(7-9-31(17)18)20-29-30-21(33-20)28-15-4-5-15/h1-3,7,9-12,15H,4-6,8H2,(H,27,32)(H,28,30)
InChIKeyGMKHALFIFPVJFU-UHFFFAOYSA-N
MW472.50 g/mol
LogP5.38
Rot. Bonds7

About N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide

N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide (PubChem CID 158300216) has the molecular formula C22H19F3N6OS and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
PubChem CID158300216
Molecular FormulaC22H19F3N6OS
Molecular Weight472.50 g/mol
Exact Mass472.13
IUPAC NameN-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(NC5CC5)s4)ccn23)c1
InChIInChI=1S/C22H19F3N6OS/c23-22(24,25)8-6-19(32)27-16-3-1-2-13(10-16)17-12-26-18-11-14(7-9-31(17)18)20-29-30-21(33-20)28-15-4-5-15/h1-3,7,9-12,15H,4-6,8H2,(H,27,32)(H,28,30)
InChIKeyGMKHALFIFPVJFU-UHFFFAOYSA-N
XLogP5.38
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
CID 159389279
1-[3-[7-[3-(oxan-4-ylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320974
4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 152786925
1-[3-[7-[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766773
tert-butyl 2-[1-[2-[3-[3-(4,4,4-trifluorobutanoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-4-yl]azetidin-3-yl]acetate
CID 152943726
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321119
1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid
CID 68596128
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321137
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride
CID 68595412
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide (CID 158300216) is N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(NC5CC5)s4)ccn23)c1.
What is the InChIKey of N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
The InChIKey is GMKHALFIFPVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6OS/c23-22(24,25)8-6-19(32)27-16-3-1-2-13(10-16)17-12-26-18-11-14(7-9-31(17)18)20-29-30-21(33-20)28-15-4-5-15/h1-3,7,9-12,15H,4-6,8H2,(H,27,32)(H,28,30).
What are the key properties of N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide has a molecular weight of 472.50 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 158300216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).