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

C19H14F3N5O3S — CID 19262355

IUPAC3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C19H14F3N5O3S/c1-2-27-6-5-10(26-27)17(29)25-14-13-9(11-4-3-7-30-11)8-12(19(20,21)22)24-18(13)31-15(14)16(23)28/h3-8H,2H2,1H3,(H2,23,28)(H,25,29)
InChIKeyDSDLIOUWJYPMLU-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.14
Rot. Bonds5

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

3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19262355) has the molecular formula C19H14F3N5O3S and a molecular weight of 449.41 g/mol. Its IUPAC name is 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19262355
Molecular FormulaC19H14F3N5O3S
Molecular Weight449.41 g/mol
Exact Mass449.08
IUPAC Name3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C19H14F3N5O3S/c1-2-27-6-5-10(26-27)17(29)25-14-13-9(11-4-3-7-30-11)8-12(19(20,21)22)24-18(13)31-15(14)16(23)28/h3-8H,2H2,1H3,(H2,23,28)(H,25,29)
InChIKeyDSDLIOUWJYPMLU-UHFFFAOYSA-N
XLogP4.14
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19262355) is 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)n1.
What is the InChIKey of 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DSDLIOUWJYPMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O3S/c1-2-27-6-5-10(26-27)17(29)25-14-13-9(11-4-3-7-30-11)8-12(19(20,21)22)24-18(13)31-15(14)16(23)28/h3-8H,2H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19262355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).