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

C20H17F3N4O2S — CID 135464015

IUPAC1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1
InChIInChI=1S/C20H17F3N4O2S/c1-11-18-14(20(21,22)23)9-16(28)25-19(18)27(26-11)8-7-17-24-15(10-30-17)12-3-5-13(29-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)
InChIKeyISTJWVYNNDZRCQ-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.43
Rot. Bonds5

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

1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135464015) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135464015
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1
InChIInChI=1S/C20H17F3N4O2S/c1-11-18-14(20(21,22)23)9-16(28)25-19(18)27(26-11)8-7-17-24-15(10-30-17)12-3-5-13(29-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)
InChIKeyISTJWVYNNDZRCQ-UHFFFAOYSA-N
XLogP4.43
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135464015) is 1-[2-[4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ISTJWVYNNDZRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-11-18-14(20(21,22)23)9-16(28)25-19(18)27(26-11)8-7-17-24-15(10-30-17)12-3-5-13(29-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,25,28).
What are the key properties of 1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 434.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135464015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).