N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide

C24H26F2N6O4S — CID 46946255

IUPACN-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs2)c2c(=O)n(C)c(=O)n(C)c12
InChIInChI=1S/C24H26F2N6O4S/c1-12-18-19(21(34)31(6)23(35)30(18)5)32(29-12)9-17(33)28-22-27-16(10-37-22)13-7-14(25)20(15(26)8-13)36-11-24(2,3)4/h7-8,10H,9,11H2,1-6H3,(H,27,28,33)
InChIKeyDROCTFJGBWQBSL-UHFFFAOYSA-N
MW532.57 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide

N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide (PubChem CID 46946255) has the molecular formula C24H26F2N6O4S and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
PubChem CID46946255
Molecular FormulaC24H26F2N6O4S
Molecular Weight532.57 g/mol
Exact Mass532.17
IUPAC NameN-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs2)c2c(=O)n(C)c(=O)n(C)c12
InChIInChI=1S/C24H26F2N6O4S/c1-12-18-19(21(34)31(6)23(35)30(18)5)32(29-12)9-17(33)28-22-27-16(10-37-22)13-7-14(25)20(15(26)8-13)36-11-24(2,3)4/h7-8,10H,9,11H2,1-6H3,(H,27,28,33)
InChIKeyDROCTFJGBWQBSL-UHFFFAOYSA-N
XLogP3.21
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide with MolForge

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Related Compounds

3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 71727539
N-[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 155539507
N-[4-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 46946257
N-[4-[3-chloro-4-(2,2-dimethylpropoxy)-5-fluorophenyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 46946443
2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide
CID 46946444
2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]acetamide
CID 46946649
1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 25284660
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 25855622
1-ethyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 25855628
1-ethyl-3-methyl-N-(4-(4-propoxyphenyl)thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 42111320
N-(5-(3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide
CID 76146178

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide (CID 46946255) is N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide is Cc1nn(CC(=O)Nc2nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs2)c2c(=O)n(C)c(=O)n(C)c12.
What is the InChIKey of N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide?
The InChIKey is DROCTFJGBWQBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O4S/c1-12-18-19(21(34)31(6)23(35)30(18)5)32(29-12)9-17(33)28-22-27-16(10-37-22)13-7-14(25)20(15(26)8-13)36-11-24(2,3)4/h7-8,10H,9,11H2,1-6H3,(H,27,28,33).
What are the key properties of N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide?
N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide has a molecular weight of 532.57 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 46946255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).