5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

C16H11FN4S — CID 134806761

IUPAC5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3cccc(F)c3)nc12
InChIInChI=1S/C16H11FN4S/c1-9-5-6-22-15(9)13-14-16(21-20-13)18-8-12(19-14)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,18,20,21)
InChIKeyKVEUIRYIIBNENY-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.20
Rot. Bonds2

About 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134806761) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134806761
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3cccc(F)c3)nc12
InChIInChI=1S/C16H11FN4S/c1-9-5-6-22-15(9)13-14-16(21-20-13)18-8-12(19-14)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,18,20,21)
InChIKeyKVEUIRYIIBNENY-UHFFFAOYSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 138105936
CID 138105936
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126649391
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
3-[(2-Fluorophenyl)methyl]-7-(1,3-thiazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9858577
3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9858578
3-[(2-Fluorophenyl)methyl]-7-thiophen-2-yltriazolo[4,5-d]pyrimidin-5-amine
CID 9880392
3-[(2-Fluorophenyl)methyl]-7-(5-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9902562
3-[(2-Fluorophenyl)methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9902563

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134806761) is 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is Cc1ccsc1-c1[nH]nc2ncc(-c3cccc(F)c3)nc12.
What is the InChIKey of 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is KVEUIRYIIBNENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c1-9-5-6-22-15(9)13-14-16(21-20-13)18-8-12(19-14)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,18,20,21).
What are the key properties of 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 310.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134806761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).