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

C13H10F3N5OS — CID 19618148

IUPAC3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cn1
InChIInChI=1S/C13H10F3N5OS/c1-21-4-5(3-19-21)6-2-7(13(14,15)16)20-12-8(6)9(17)10(23-12)11(18)22/h2-4H,17H2,1H3,(H2,18,22)
InChIKeyDJEKKTZRUHNOSP-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.40
Rot. Bonds2

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

3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19618148) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19618148
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC Name3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cn1
InChIInChI=1S/C13H10F3N5OS/c1-21-4-5(3-19-21)6-2-7(13(14,15)16)20-12-8(6)9(17)10(23-12)11(18)22/h2-4H,17H2,1H3,(H2,18,22)
InChIKeyDJEKKTZRUHNOSP-UHFFFAOYSA-N
XLogP2.40
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.40
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-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19618148) is 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cn1.
What is the InChIKey of 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DJEKKTZRUHNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c1-21-4-5(3-19-21)6-2-7(13(14,15)16)20-12-8(6)9(17)10(23-12)11(18)22/h2-4H,17H2,1H3,(H2,18,22).
What are the key properties of 3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.40, 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-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19618148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).