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

C15H15F2N5OS — CID 17024878

IUPAC3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(N)c23)c(C)n1
InChIInChI=1S/C15H15F2N5OS/c1-3-22-5-8(6(2)21-22)7-4-9(13(16)17)20-15-10(7)11(18)12(24-15)14(19)23/h4-5,13H,3,18H2,1-2H3,(H2,19,23)
InChIKeyFUJCFHSGUTXBFE-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.11
Rot. Bonds4

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

3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 17024878) has the molecular formula C15H15F2N5OS and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID17024878
Molecular FormulaC15H15F2N5OS
Molecular Weight351.38 g/mol
Exact Mass351.10
IUPAC Name3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(N)c23)c(C)n1
InChIInChI=1S/C15H15F2N5OS/c1-3-22-5-8(6(2)21-22)7-4-9(13(16)17)20-15-10(7)11(18)12(24-15)14(19)23/h4-5,13H,3,18H2,1-2H3,(H2,19,23)
InChIKeyFUJCFHSGUTXBFE-UHFFFAOYSA-N
XLogP3.11
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.11
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-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 17024878) is 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(N)c23)c(C)n1.
What is the InChIKey of 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FUJCFHSGUTXBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5OS/c1-3-22-5-8(6(2)21-22)7-4-9(13(16)17)20-15-10(7)11(18)12(24-15)14(19)23/h4-5,13H,3,18H2,1-2H3,(H2,19,23).
What are the key properties of 3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.11, 4 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-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 17024878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).