6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C23H26F3N5O2 — CID 118101451

IUPAC6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1nn(CC[C@H]2COC(C)(C)O2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H26F3N5O2/c1-14-21(15(2)31(30-14)10-9-18-13-32-22(3,4)33-18)19-11-27-12-20(29-19)28-17-7-5-16(6-8-17)23(24,25)26/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,28,29)/t18-/m0/s1
InChIKeyIAGAWSZBKLVMAP-SFHVURJKSA-N
MW461.49 g/mol
LogP5.26
Rot. Bonds6

About 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 118101451) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID118101451
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1nn(CC[C@H]2COC(C)(C)O2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H26F3N5O2/c1-14-21(15(2)31(30-14)10-9-18-13-32-22(3,4)33-18)19-11-27-12-20(29-19)28-17-7-5-16(6-8-17)23(24,25)26/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,28,29)/t18-/m0/s1
InChIKeyIAGAWSZBKLVMAP-SFHVURJKSA-N
XLogP5.26
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 118094470
6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 118101423
6-(6-fluoro-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 122578372
6-(2-methyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094690
6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095116
6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094327
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfinamide
CID 155585482
6-hydrazinyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 80903825
4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 74767671
2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine
CID 118095155
N-(4-methylphenyl)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine
CID 118094743
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 159805438

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 118101451) is 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1nn(CC[C@H]2COC(C)(C)O2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is IAGAWSZBKLVMAP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-14-21(15(2)31(30-14)10-9-18-13-32-22(3,4)33-18)19-11-27-12-20(29-19)28-17-7-5-16(6-8-17)23(24,25)26/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,28,29)/t18-/m0/s1.
What are the key properties of 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 461.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118101451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).