2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide

C25H14F4N6O2S — CID 23537303

IUPAC2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C25H14F4N6O2S/c26-18-7-13(20-11-30-22-6-2-14(12-35(20)22)15-9-31-32-10-15)1-4-17(18)23(36)34-24-33-19-5-3-16(8-21(19)38-24)37-25(27,28)29/h1-12H,(H,31,32)(H,33,34,36)
InChIKeyJQTZGVDNULXUHG-UHFFFAOYSA-N
MW538.49 g/mol
LogP6.29
Rot. Bonds5

About 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide

2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 23537303) has the molecular formula C25H14F4N6O2S and a molecular weight of 538.49 g/mol. Its IUPAC name is 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
PubChem CID23537303
Molecular FormulaC25H14F4N6O2S
Molecular Weight538.49 g/mol
Exact Mass538.08
IUPAC Name2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C25H14F4N6O2S/c26-18-7-13(20-11-30-22-6-2-14(12-35(20)22)15-9-31-32-10-15)1-4-17(18)23(36)34-24-33-19-5-3-16(8-21(19)38-24)37-25(27,28)29/h1-12H,(H,31,32)(H,33,34,36)
InChIKeyJQTZGVDNULXUHG-UHFFFAOYSA-N
XLogP6.29
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.49
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 87901707
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
methyl 5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55823981
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
1-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiourea
CID 44818647
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 71702507
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
2-chloro-5-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75357215
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 139541311
2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 122633267

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide (CID 23537303) is 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide is O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F.
What is the InChIKey of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is JQTZGVDNULXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F4N6O2S/c26-18-7-13(20-11-30-22-6-2-14(12-35(20)22)15-9-31-32-10-15)1-4-17(18)23(36)34-24-33-19-5-3-16(8-21(19)38-24)37-25(27,28)29/h1-12H,(H,31,32)(H,33,34,36).
What are the key properties of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 538.49 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 23537303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).