2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one

C17H15F3N4O2S — CID 133081448

IUPAC2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1nc2c(C3CNNC3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2s1
InChIInChI=1S/C17H15F3N4O2S/c1-9-23-14-13(10-6-21-22-7-10)8-24(16(25)15(14)27-9)11-2-4-12(5-3-11)26-17(18,19)20/h2-5,8,10,21-22H,6-7H2,1H3
InChIKeyROHWCUWWKULFQC-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one

2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 133081448) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID133081448
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1nc2c(C3CNNC3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2s1
InChIInChI=1S/C17H15F3N4O2S/c1-9-23-14-13(10-6-21-22-7-10)8-24(16(25)15(14)27-9)11-2-4-12(5-3-11)26-17(18,19)20/h2-5,8,10,21-22H,6-7H2,1H3
InChIKeyROHWCUWWKULFQC-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 133081448) is 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one is Cc1nc2c(C3CNNC3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2s1.
What is the InChIKey of 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is ROHWCUWWKULFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-9-23-14-13(10-6-21-22-7-10)8-24(16(25)15(14)27-9)11-2-4-12(5-3-11)26-17(18,19)20/h2-5,8,10,21-22H,6-7H2,1H3.
What are the key properties of 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 396.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-pyrazolidin-4-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 133081448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).