6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

C13H11F3N4S — CID 16669171

IUPAC6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(C(F)(F)F)c2c(NCc3cccs3)n[nH]c2n1
InChIInChI=1S/C13H11F3N4S/c1-7-5-9(13(14,15)16)10-11(19-20-12(10)18-7)17-6-8-3-2-4-21-8/h2-5H,6H2,1H3,(H2,17,18,19,20)
InChIKeyIWOPIWZKSHPXHG-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.96
Rot. Bonds3

About 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 16669171) has the molecular formula C13H11F3N4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID16669171
Molecular FormulaC13H11F3N4S
Molecular Weight312.32 g/mol
Exact Mass312.07
IUPAC Name6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(C(F)(F)F)c2c(NCc3cccs3)n[nH]c2n1
InChIInChI=1S/C13H11F3N4S/c1-7-5-9(13(14,15)16)10-11(19-20-12(10)18-7)17-6-8-3-2-4-21-8/h2-5H,6H2,1H3,(H2,17,18,19,20)
InChIKeyIWOPIWZKSHPXHG-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651
ethane;3,10,12-trimethyl-N-(thiophen-2-ylmethyl)-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 144555862
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 95840644
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazol-2-amine
CID 130735490
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 16669171) is 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine is Cc1cc(C(F)(F)F)c2c(NCc3cccs3)n[nH]c2n1.
What is the InChIKey of 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is IWOPIWZKSHPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4S/c1-7-5-9(13(14,15)16)10-11(19-20-12(10)18-7)17-6-8-3-2-4-21-8/h2-5H,6H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 312.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 16669171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).