3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C20H16F3N5O3S — CID 19280883

IUPAC3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ncc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)c1C
InChIInChI=1S/C20H16F3N5O3S/c1-3-28-9(2)11(8-25-28)18(30)27-15-14-10(12-5-4-6-31-12)7-13(20(21,22)23)26-19(14)32-16(15)17(24)29/h4-8H,3H2,1-2H3,(H2,24,29)(H,27,30)
InChIKeyRKVAGELCXOQZJP-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.45
Rot. Bonds5

About 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19280883) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19280883
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC Name3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ncc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)c1C
InChIInChI=1S/C20H16F3N5O3S/c1-3-28-9(2)11(8-25-28)18(30)27-15-14-10(12-5-4-6-31-12)7-13(20(21,22)23)26-19(14)32-16(15)17(24)29/h4-8H,3H2,1-2H3,(H2,24,29)(H,27,30)
InChIKeyRKVAGELCXOQZJP-UHFFFAOYSA-N
XLogP4.45
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
3-amino-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 893110
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid o-tolylamide
CID 1405158
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid phenylamide
CID 1974623
(12Z)-6-amino-N-cyclopropyl-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 7125637
6-Amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
CID 46884128
6-Amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
CID 46884209
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
(3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 1415611
3-amino-4-(furan-2-yl)-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1420362
3-Amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 10564173

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19280883) is 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1ncc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)c1C.
What is the InChIKey of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RKVAGELCXOQZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c1-3-28-9(2)11(8-25-28)18(30)27-15-14-10(12-5-4-6-31-12)7-13(20(21,22)23)26-19(14)32-16(15)17(24)29/h4-8H,3H2,1-2H3,(H2,24,29)(H,27,30).
What are the key properties of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19280883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).