4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

C17H18F3N7O — CID 134474030

IUPAC4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(Oc4ccncc4C(F)(F)F)n[nH]c3n2)CC1
InChIInChI=1S/C17H18F3N7O/c1-16(21)3-6-27(7-4-16)12-9-23-13-14(24-12)25-26-15(13)28-11-2-5-22-8-10(11)17(18,19)20/h2,5,8-9H,3-4,6-7,21H2,1H3,(H,24,25,26)
InChIKeyKCYLRFGYSKKXAG-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.88
Rot. Bonds3

About 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (PubChem CID 134474030) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
PubChem CID134474030
Molecular FormulaC17H18F3N7O
Molecular Weight393.37 g/mol
Exact Mass393.15
IUPAC Name4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(Oc4ccncc4C(F)(F)F)n[nH]c3n2)CC1
InChIInChI=1S/C17H18F3N7O/c1-16(21)3-6-27(7-4-16)12-9-23-13-14(24-12)25-26-15(13)28-11-2-5-22-8-10(11)17(18,19)20/h2,5,8-9H,3-4,6-7,21H2,1H3,(H,24,25,26)
InChIKeyKCYLRFGYSKKXAG-UHFFFAOYSA-N
XLogP2.88
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 134473834
1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134473830
4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
CID 134474008
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-fluoropyridin-2-amine
CID 142484626
(3S,4S)-3-methyl-8-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 134473769
(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155774367
4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 134474233
4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one
CID 147401059
4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 70929989
4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine
CID 135388644
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 145413056

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (CID 134474030) is 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is CC1(N)CCN(c2cnc3c(Oc4ccncc4C(F)(F)F)n[nH]c3n2)CC1.
What is the InChIKey of 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The InChIKey is KCYLRFGYSKKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O/c1-16(21)3-6-27(7-4-16)12-9-23-13-14(24-12)25-26-15(13)28-11-2-5-22-8-10(11)17(18,19)20/h2,5,8-9H,3-4,6-7,21H2,1H3,(H,24,25,26).
What are the key properties of 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine has a molecular weight of 393.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is sourced from PubChem (CID 134474030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).