3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one

C26H18ClF3N6O2S — CID 153054248

IUPAC3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one
SMILESCC(CC(=O)c1cnn2cc(-c3cncnc3)ccc12)c1ncc(C(=O)Cc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C26H18ClF3N6O2S/c1-14(4-22(37)18-9-35-36-12-15(2-3-21(18)36)16-7-31-13-32-8-16)25-34-11-24(39-25)23(38)6-17-5-19(26(28,29)30)20(27)10-33-17/h2-3,5,7-14H,4,6H2,1H3
InChIKeyVIDZTQSJYQNMTK-UHFFFAOYSA-N
MW570.98 g/mol
LogP6.12
Rot. Bonds8

About 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one

3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one (PubChem CID 153054248) has the molecular formula C26H18ClF3N6O2S and a molecular weight of 570.98 g/mol. Its IUPAC name is 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one.

Molecular Properties

Compound Name3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one
PubChem CID153054248
Molecular FormulaC26H18ClF3N6O2S
Molecular Weight570.98 g/mol
Exact Mass570.09
IUPAC Name3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one
SMILESCC(CC(=O)c1cnn2cc(-c3cncnc3)ccc12)c1ncc(C(=O)Cc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C26H18ClF3N6O2S/c1-14(4-22(37)18-9-35-36-12-15(2-3-21(18)36)16-7-31-13-32-8-16)25-34-11-24(39-25)23(38)6-17-5-19(26(28,29)30)20(27)10-33-17/h2-3,5,7-14H,4,6H2,1H3
InChIKeyVIDZTQSJYQNMTK-UHFFFAOYSA-N
XLogP6.12
TPSA103.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.98
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
The IUPAC name of 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one (CID 153054248) is 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one.
What is the SMILES notation for 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
The canonical SMILES for 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one is CC(CC(=O)c1cnn2cc(-c3cncnc3)ccc12)c1ncc(C(=O)Cc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
The InChIKey is VIDZTQSJYQNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF3N6O2S/c1-14(4-22(37)18-9-35-36-12-15(2-3-21(18)36)16-7-31-13-32-8-16)25-34-11-24(39-25)23(38)6-17-5-19(26(28,29)30)20(27)10-33-17/h2-3,5,7-14H,4,6H2,1H3.
What are the key properties of 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one has a molecular weight of 570.98 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-(6-pyrimidin-5-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one is sourced from PubChem (CID 153054248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).