3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C14H12F3N5OS — CID 19618149

IUPAC3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H12F3N5OS/c1-5-7(4-22(2)21-5)6-3-8(14(15,16)17)20-13-9(6)10(18)11(24-13)12(19)23/h3-4H,18H2,1-2H3,(H2,19,23)
InChIKeyLBIHTJZWUPQHSE-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.71
Rot. Bonds2

About 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19618149) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19618149
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H12F3N5OS/c1-5-7(4-22(2)21-5)6-3-8(14(15,16)17)20-13-9(6)10(18)11(24-13)12(19)23/h3-4H,18H2,1-2H3,(H2,19,23)
InChIKeyLBIHTJZWUPQHSE-UHFFFAOYSA-N
XLogP2.71
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19618149) is 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C)cc1-c1cc(C(F)(F)F)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LBIHTJZWUPQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c1-5-7(4-22(2)21-5)6-3-8(14(15,16)17)20-13-9(6)10(18)11(24-13)12(19)23/h3-4H,18H2,1-2H3,(H2,19,23).
What are the key properties of 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19618149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).