5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine

C22H23F3N6O — CID 176913138

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc(N)c(OCc4ccnc(C(F)(F)F)c4)n3)cc2)CC1
InChIInChI=1S/C22H23F3N6O/c1-30-8-10-31(11-9-30)17-4-2-16(3-5-17)18-13-28-20(26)21(29-18)32-14-15-6-7-27-19(12-15)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3,(H2,26,28)
InChIKeyJNZPQEDZSLAVPE-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.47
Rot. Bonds5

About 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine

5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine (PubChem CID 176913138) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine
PubChem CID176913138
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc(N)c(OCc4ccnc(C(F)(F)F)c4)n3)cc2)CC1
InChIInChI=1S/C22H23F3N6O/c1-30-8-10-31(11-9-30)17-4-2-16(3-5-17)18-13-28-20(26)21(29-18)32-14-15-6-7-27-19(12-15)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3,(H2,26,28)
InChIKeyJNZPQEDZSLAVPE-UHFFFAOYSA-N
XLogP3.47
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine
CID 176913126
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine
CID 176913197
3-[(2-amino-4-pyridinyl)methoxy]-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine
CID 176913103
tert-butyl 4-[4-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]phenyl]piperazine-1-carboxylate
CID 176913164
3-(7-fluoro-1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-amine
CID 166092895
6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one;formic acid
CID 175814430
3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 126474348
[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71711914
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
1-ethyl-4-[4-(4-ethyl-2-pyridinyl)phenyl]piperazine
CID 170239680
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 151036271
3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
CID 11694866

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine (CID 176913138) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine is CN1CCN(c2ccc(-c3cnc(N)c(OCc4ccnc(C(F)(F)F)c4)n3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine?
The InChIKey is JNZPQEDZSLAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-30-8-10-31(11-9-30)17-4-2-16(3-5-17)18-13-28-20(26)21(29-18)32-14-15-6-7-27-19(12-15)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3,(H2,26,28).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine?
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine has a molecular weight of 444.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine is sourced from PubChem (CID 176913138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).