3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine

C19H21F2N5 — CID 157469658

IUPAC3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCC1(C)CCN(c2cnc3c(-c4ccc(C(F)F)cc4)[nH]nc3n2)CC1
InChIInChI=1S/C19H21F2N5/c1-19(2)7-9-26(10-8-19)14-11-22-16-15(24-25-18(16)23-14)12-3-5-13(6-4-12)17(20)21/h3-6,11,17H,7-10H2,1-2H3,(H,23,24,25)
InChIKeyBUWOEDGUNUUCEJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.58
Rot. Bonds3

About 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine

3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 157469658) has the molecular formula C19H21F2N5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID157469658
Molecular FormulaC19H21F2N5
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCC1(C)CCN(c2cnc3c(-c4ccc(C(F)F)cc4)[nH]nc3n2)CC1
InChIInChI=1S/C19H21F2N5/c1-19(2)7-9-26(10-8-19)14-11-22-16-15(24-25-18(16)23-14)12-3-5-13(6-4-12)17(20)21/h3-6,11,17H,7-10H2,1-2H3,(H,23,24,25)
InChIKeyBUWOEDGUNUUCEJ-UHFFFAOYSA-N
XLogP4.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine 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

6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 159145034
6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 167568890
[4-methyl-1-[3-(4-methylsulfanyloxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 170184626
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 134379135
4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 145413056
3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol
CID 160957271
6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine
CID 178072701
1-[1-[3-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992676
(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 134368037
1-[1-[3-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992559
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3,3-difluoro-8-azaspiro[4.5]decane
CID 163448968

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 157469658) is 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4ccc(C(F)F)cc4)[nH]nc3n2)CC1.
What is the InChIKey of 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is BUWOEDGUNUUCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5/c1-19(2)7-9-26(10-8-19)14-11-22-16-15(24-25-18(16)23-14)12-3-5-13(6-4-12)17(20)21/h3-6,11,17H,7-10H2,1-2H3,(H,23,24,25).
What are the key properties of 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?
3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 357.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 157469658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).