4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C20H11F3N6O3S — CID 19414665

IUPAC4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H11F3N6O3S/c21-20(22,23)12-7-9(11-3-1-6-32-11)13-14(15(16(24)30)33-19(13)27-12)28-18(31)10-8-26-29-5-2-4-25-17(10)29/h1-8H,(H2,24,30)(H,28,31)
InChIKeyQXKNBOXORDUEKT-UHFFFAOYSA-N
MW472.41 g/mol
LogP3.97
Rot. Bonds4

About 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19414665) has the molecular formula C20H11F3N6O3S and a molecular weight of 472.41 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19414665
Molecular FormulaC20H11F3N6O3S
Molecular Weight472.41 g/mol
Exact Mass472.06
IUPAC Name4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H11F3N6O3S/c21-20(22,23)12-7-9(11-3-1-6-32-11)13-14(15(16(24)30)33-19(13)27-12)28-18(31)10-8-26-29-5-2-4-25-17(10)29/h1-8H,(H2,24,30)(H,28,31)
InChIKeyQXKNBOXORDUEKT-UHFFFAOYSA-N
XLogP3.97
TPSA128.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19468287
4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19537392
3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19462264
3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19462279
4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19265612
3-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19276633
4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19465955
4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19467671
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534117
4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19457150
3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19416556
6-(difluoromethyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280637

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19414665) is 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cnn2cccnc12.
What is the InChIKey of 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QXKNBOXORDUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N6O3S/c21-20(22,23)12-7-9(11-3-1-6-32-11)13-14(15(16(24)30)33-19(13)27-12)28-18(31)10-8-26-29-5-2-4-25-17(10)29/h1-8H,(H2,24,30)(H,28,31).
What are the key properties of 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 472.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19414665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).