3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

C24H21FN6O2S — CID 66502899

IUPAC3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCCc1nn2c(N)c(-c3nc(-c4ccc(OC)c(OC)c4)cs3)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN6O2S/c1-4-16-20(13-5-8-15(25)9-6-13)23-29-28-21(22(26)31(23)30-16)24-27-17(12-34-24)14-7-10-18(32-2)19(11-14)33-3/h5-12H,4,26H2,1-3H3
InChIKeyVVAZPRMKEOIPDU-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.88
Rot. Bonds6

About 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66502899) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66502899
Molecular FormulaC24H21FN6O2S
Molecular Weight476.54 g/mol
Exact Mass476.14
IUPAC Name3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCCc1nn2c(N)c(-c3nc(-c4ccc(OC)c(OC)c4)cs3)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN6O2S/c1-4-16-20(13-5-8-15(25)9-6-13)23-29-28-21(22(26)31(23)30-16)24-27-17(12-34-24)14-7-10-18(32-2)19(11-14)33-3/h5-12H,4,26H2,1-3H3
InChIKeyVVAZPRMKEOIPDU-UHFFFAOYSA-N
XLogP4.88
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502906
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502561
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502562
7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 17172564
8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502531
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502592
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228421
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66502899) is 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is CCc1nn2c(N)c(-c3nc(-c4ccc(OC)c(OC)c4)cs3)nnc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is VVAZPRMKEOIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S/c1-4-16-20(13-5-8-15(25)9-6-13)23-29-28-21(22(26)31(23)30-16)24-27-17(12-34-24)14-7-10-18(32-2)19(11-14)33-3/h5-12H,4,26H2,1-3H3.
What are the key properties of 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 476.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66502899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).