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

C14H13F2N5OS — CID 17024590

IUPAC3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H13F2N5OS/c1-5-7(4-21(2)20-5)6-3-8(12(15)16)19-14-9(6)10(17)11(23-14)13(18)22/h3-4,12H,17H2,1-2H3,(H2,18,22)
InChIKeyWXIZEYCSMOSXCL-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.62
Rot. Bonds3

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

3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 17024590) has the molecular formula C14H13F2N5OS and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID17024590
Molecular FormulaC14H13F2N5OS
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Name3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H13F2N5OS/c1-5-7(4-21(2)20-5)6-3-8(12(15)16)19-14-9(6)10(17)11(23-14)13(18)22/h3-4,12H,17H2,1-2H3,(H2,18,22)
InChIKeyWXIZEYCSMOSXCL-UHFFFAOYSA-N
XLogP2.62
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 17024590) is 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WXIZEYCSMOSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5OS/c1-5-7(4-21(2)20-5)6-3-8(12(15)16)19-14-9(6)10(17)11(23-14)13(18)22/h3-4,12H,17H2,1-2H3,(H2,18,22).
What are the key properties of 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 17024590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).