4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine

C16H15F3N4 — CID 16674346

IUPAC4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cc(C)c2c(NCc3cccc(C(F)(F)F)c3)n[nH]c2n1
InChIInChI=1S/C16H15F3N4/c1-9-6-10(2)21-15-13(9)14(22-23-15)20-8-11-4-3-5-12(7-11)16(17,18)19/h3-7H,8H2,1-2H3,(H2,20,21,22,23)
InChIKeyDEDDHJPYPYBDBE-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.21
Rot. Bonds3

About 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine

4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 16674346) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID16674346
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cc(C)c2c(NCc3cccc(C(F)(F)F)c3)n[nH]c2n1
InChIInChI=1S/C16H15F3N4/c1-9-6-10(2)21-15-13(9)14(22-23-15)20-8-11-4-3-5-12(7-11)16(17,18)19/h3-7H,8H2,1-2H3,(H2,20,21,22,23)
InChIKeyDEDDHJPYPYBDBE-UHFFFAOYSA-N
XLogP4.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 16674391
6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbonitrile
CID 107543356
chloromethane;2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 155686412
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
N-[(6-methyl-2-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60962305
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 16674346) is 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine is Cc1cc(C)c2c(NCc3cccc(C(F)(F)F)c3)n[nH]c2n1.
What is the InChIKey of 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is DEDDHJPYPYBDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-9-6-10(2)21-15-13(9)14(22-23-15)20-8-11-4-3-5-12(7-11)16(17,18)19/h3-7H,8H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?
4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 320.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 16674346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).