1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C19H14F4N4OS — CID 135416948

IUPAC1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(CCc2nc(-c3ccccc3F)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C19H14F4N4OS/c1-10-17-12(19(21,22)23)8-15(28)25-18(17)27(26-10)7-6-16-24-14(9-29-16)11-4-2-3-5-13(11)20/h2-5,8-9H,6-7H2,1H3,(H,25,28)
InChIKeyJZRXMESSAQXLTF-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.56
Rot. Bonds4

About 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135416948) has the molecular formula C19H14F4N4OS and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135416948
Molecular FormulaC19H14F4N4OS
Molecular Weight422.41 g/mol
Exact Mass422.08
IUPAC Name1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(CCc2nc(-c3ccccc3F)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C19H14F4N4OS/c1-10-17-12(19(21,22)23)8-15(28)25-18(17)27(26-10)7-6-16-24-14(9-29-16)11-4-2-3-5-13(11)20/h2-5,8-9H,6-7H2,1H3,(H,25,28)
InChIKeyJZRXMESSAQXLTF-UHFFFAOYSA-N
XLogP4.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
CID 2100902
N-[4-(4-methyl-1,3-thiazol-2-yl)-2-phenylpyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 2123127
2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 4788851
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135532946
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155550023
1H-Pyrazole-1-acetamide, 5-methyl-N-(5-methyl-4-phenyl-2-thiazolyl)-3-(trifluoromethyl)-
CID 1222112
Acetamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498356
Acetamide, N-(3-phenyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498360
3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
CID 2123250
N-[3-(diethylamino)propyl]-1-(4-phenyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 10478966
2-fluoro-N-(3-methyl-1-(4-(p-tolyl)thiazol-2-yl)-1H-pyrazol-5-yl)benzamide
CID 25281726

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135416948) is 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(CCc2nc(-c3ccccc3F)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JZRXMESSAQXLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4OS/c1-10-17-12(19(21,22)23)8-15(28)25-18(17)27(26-10)7-6-16-24-14(9-29-16)11-4-2-3-5-13(11)20/h2-5,8-9H,6-7H2,1H3,(H,25,28).
What are the key properties of 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 422.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135416948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).