3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C22H23F3N6O3 — CID 11627053

IUPAC3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(N[C@@H](Cc4nc(C)no4)C(F)(F)F)cc(C)nc23)c(OC)c1
InChIInChI=1S/C22H23F3N6O3/c1-11-8-18(28-17(22(23,24)25)10-19-27-13(3)30-34-19)31-21(26-11)20(12(2)29-31)15-7-6-14(32-4)9-16(15)33-5/h6-9,17,28H,10H2,1-5H3/t17-/m0/s1
InChIKeyBEXNUACZMREICT-KRWDZBQOSA-N
MW476.46 g/mol
LogP4.31
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11627053) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11627053
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(N[C@@H](Cc4nc(C)no4)C(F)(F)F)cc(C)nc23)c(OC)c1
InChIInChI=1S/C22H23F3N6O3/c1-11-8-18(28-17(22(23,24)25)10-19-27-13(3)30-34-19)31-21(26-11)20(12(2)29-31)15-7-6-14(32-4)9-16(15)33-5/h6-9,17,28H,10H2,1-5H3/t17-/m0/s1
InChIKeyBEXNUACZMREICT-KRWDZBQOSA-N
XLogP4.31
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11676421
3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 59777421
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11509641
3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11234244
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
3-(2,4-dimethoxyphenyl)-5-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
CID 138000258
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
3-(2,4-dimethoxyphenyl)-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 11596391
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901
7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole
CID 67335442

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11627053) is 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(N[C@@H](Cc4nc(C)no4)C(F)(F)F)cc(C)nc23)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BEXNUACZMREICT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c1-11-8-18(28-17(22(23,24)25)10-19-27-13(3)30-34-19)31-21(26-11)20(12(2)29-31)15-7-6-14(32-4)9-16(15)33-5/h6-9,17,28H,10H2,1-5H3/t17-/m0/s1.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 476.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11627053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).